(4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid

C59H67N7O7 — CID 160594629

IUPAC(4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid
SMILESCCCc1nc2c(C)cc(C(=O)N[C@@H](CC(=O)NOCc3ccccc3)Cc3ccccc3)cc2[nH]1.CCCc1nc2c(C)cc(C(=O)O)cc2[nH]1.N[C@@H](CC(=O)COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H32N4O3.C18H21NO2.C12H14N2O2/c1-3-10-26-31-25-17-23(15-20(2)28(25)32-26)29(35)30-24(16-21-11-6-4-7-12-21)18-27(34)33-36-19-22-13-8-5-9-14-22;19-17(11-15-7-3-1-4-8-15)12-18(20)14-21-13-16-9-5-2-6-10-16;1-3-4-10-13-9-6-8(12(15)16)5-7(2)11(9)14-10/h4-9,11-15,17,24H,3,10,16,18-19H2,1-2H3,(H,30,35)(H,31,32)(H,33,34);1-10,17H,11-14,19H2;5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t24-;17-;/m11./s1
InChIKeyRDLUXYSCQWBSIA-MWWFSOCPSA-N
MW986.23 g/mol
LogP10.06
Rot. Bonds22

About (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid

(4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid (PubChem CID 160594629) has the molecular formula C59H67N7O7 and a molecular weight of 986.23 g/mol. Its IUPAC name is (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid
PubChem CID160594629
Molecular FormulaC59H67N7O7
Molecular Weight986.23 g/mol
Exact Mass985.51
IUPAC Name(4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid
SMILESCCCc1nc2c(C)cc(C(=O)N[C@@H](CC(=O)NOCc3ccccc3)Cc3ccccc3)cc2[nH]1.CCCc1nc2c(C)cc(C(=O)O)cc2[nH]1.N[C@@H](CC(=O)COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H32N4O3.C18H21NO2.C12H14N2O2/c1-3-10-26-31-25-17-23(15-20(2)28(25)32-26)29(35)30-24(16-21-11-6-4-7-12-21)18-27(34)33-36-19-22-13-8-5-9-14-22;19-17(11-15-7-3-1-4-8-15)12-18(20)14-21-13-16-9-5-2-6-10-16;1-3-4-10-13-9-6-8(12(15)16)5-7(2)11(9)14-10/h4-9,11-15,17,24H,3,10,16,18-19H2,1-2H3,(H,30,35)(H,31,32)(H,33,34);1-10,17H,11-14,19H2;5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t24-;17-;/m11./s1
InChIKeyRDLUXYSCQWBSIA-MWWFSOCPSA-N
XLogP10.06
TPSA214.41 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500986.23
LogP ≤ 510.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-1-(4-fluorophenyl)-3-sulfanylpropan-2-yl]-7-methyl-2-propyl-3H-benzimidazole-5-carboxamide
CID 141219093
(3S)-3-benzyl-1-[7-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-6-phenylmethoxyhexane-1,5-dione;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 159397357
2-[4-[[6-[[(2R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]sulfanyl-3-phenylpropan-2-yl]carbamoyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 87743364
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
2-[4-[[6-[[1-(1-aminocyclohexanecarbonyl)sulfanyl-3-phenylpropan-2-yl]carbamoyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 91069099
ethyl 3-hydroxy-3-[6-hydroxy-2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate
CID 22464950
3-methyl-N-phenylmethoxypentanamide
CID 114875336
4-phenyl-3-[[4-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-imidazole-2-carbonyl]amino]butanoic acid
CID 67390859
3-amino-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoic acid
CID 139809523
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
8-amino-N-phenylmethoxydecanamide;hydrochloride
CID 174601541
ethyl 2-benzyl-3-oxo-3-(phenylmethoxyamino)propanoate
CID 57483942

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid (CID 160594629) is (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid is CCCc1nc2c(C)cc(C(=O)N[C@@H](CC(=O)NOCc3ccccc3)Cc3ccccc3)cc2[nH]1.CCCc1nc2c(C)cc(C(=O)O)cc2[nH]1.N[C@@H](CC(=O)COCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid?
The InChIKey is RDLUXYSCQWBSIA-MWWFSOCPSA-N. The full InChI is InChI=1S/C29H32N4O3.C18H21NO2.C12H14N2O2/c1-3-10-26-31-25-17-23(15-20(2)28(25)32-26)29(35)30-24(16-21-11-6-4-7-12-21)18-27(34)33-36-19-22-13-8-5-9-14-22;19-17(11-15-7-3-1-4-8-15)12-18(20)14-21-13-16-9-5-2-6-10-16;1-3-4-10-13-9-6-8(12(15)16)5-7(2)11(9)14-10/h4-9,11-15,17,24H,3,10,16,18-19H2,1-2H3,(H,30,35)(H,31,32)(H,33,34);1-10,17H,11-14,19H2;5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t24-;17-;/m11./s1.
What are the key properties of (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid?
(4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid has a molecular weight of 986.23 g/mol, XLogP of 10.06, 22 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-phenyl-1-phenylmethoxypentan-2-one;7-methyl-N-[(2R)-4-oxo-1-phenyl-4-(phenylmethoxyamino)butan-2-yl]-2-propyl-3H-benzimidazole-5-carboxamide;7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 160594629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).