(2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide

C31H46N6O5 — CID 87902524

IUPAC(2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide
SMILESCCC[C@@H](NC(=O)C(C)(C)N(C=O)OC(C)(C)C)C(=O)Nc1cn(C(C(=O)N2CCC(C)CC2)c2ccccc2)cn1
InChIInChI=1S/C31H46N6O5/c1-8-12-24(33-29(41)31(6,7)37(21-38)42-30(3,4)5)27(39)34-25-19-36(20-32-25)26(23-13-10-9-11-14-23)28(40)35-17-15-22(2)16-18-35/h9-11,13-14,19-22,24,26H,8,12,15-18H2,1-7H3,(H,33,41)(H,34,39)/t24-,26?/m1/s1
InChIKeyYZFDQPBUDCEUET-RMVMEJTISA-N
MW582.75 g/mol
LogP3.92
Rot. Bonds12

About (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide

(2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide (PubChem CID 87902524) has the molecular formula C31H46N6O5 and a molecular weight of 582.75 g/mol. Its IUPAC name is (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide
PubChem CID87902524
Molecular FormulaC31H46N6O5
Molecular Weight582.75 g/mol
Exact Mass582.35
IUPAC Name(2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide
SMILESCCC[C@@H](NC(=O)C(C)(C)N(C=O)OC(C)(C)C)C(=O)Nc1cn(C(C(=O)N2CCC(C)CC2)c2ccccc2)cn1
InChIInChI=1S/C31H46N6O5/c1-8-12-24(33-29(41)31(6,7)37(21-38)42-30(3,4)5)27(39)34-25-19-36(20-32-25)26(23-13-10-9-11-14-23)28(40)35-17-15-22(2)16-18-35/h9-11,13-14,19-22,24,26H,8,12,15-18H2,1-7H3,(H,33,41)(H,34,39)/t24-,26?/m1/s1
InChIKeyYZFDQPBUDCEUET-RMVMEJTISA-N
XLogP3.92
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.75
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]hexanamide;bis(2,2,2-trifluoroacetic acid)
CID 20598849
tert-butyl N-[1-[[(2R)-1-[[1-[1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-5-phenylpentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 59975917
tert-butyl N-[2-methyl-1-[[2-[[1-[(1R)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 20598889
tert-butyl N-[1-[[(2R)-1-[[1-[1-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
CID 59975926
2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 20711034
N-[3-cyclohexyl-1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]propan-2-yl]-2,2-dimethylpropanamide
CID 20711326
2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride
CID 159609410
tert-butyl N-[1-[[3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 22252836
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]hexanamide;bis(2,2,2-trifluoroacetic acid)
CID 162323318
2-amino-N-[(2R)-1-[[1-[1-[4-(2-fluoropropan-2-yl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 101022220
2-amino-2-methyl-N-[(2R)-1-[[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-(4-phenoxyphenyl)ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 59975901
ethyl 2-[4-[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoylamino]imidazol-1-yl]-2-phenylacetate
CID 23593854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide?
The IUPAC name of (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide (CID 87902524) is (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide.
What is the SMILES notation for (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide?
The canonical SMILES for (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide is CCC[C@@H](NC(=O)C(C)(C)N(C=O)OC(C)(C)C)C(=O)Nc1cn(C(C(=O)N2CCC(C)CC2)c2ccccc2)cn1.
What is the InChIKey of (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide?
The InChIKey is YZFDQPBUDCEUET-RMVMEJTISA-N. The full InChI is InChI=1S/C31H46N6O5/c1-8-12-24(33-29(41)31(6,7)37(21-38)42-30(3,4)5)27(39)34-25-19-36(20-32-25)26(23-13-10-9-11-14-23)28(40)35-17-15-22(2)16-18-35/h9-11,13-14,19-22,24,26H,8,12,15-18H2,1-7H3,(H,33,41)(H,34,39)/t24-,26?/m1/s1.
What are the key properties of (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide?
(2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide has a molecular weight of 582.75 g/mol, XLogP of 3.92, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-methylpropanoyl]amino]-N-[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]pentanamide is sourced from PubChem (CID 87902524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).