(2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide

C34H42N2O7 — CID 149030050

IUPAC(2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide
SMILESCC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)Cc1ccccc1)C(=O)C(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C34H42N2O7/c1-23(2)28(33(41)29(37)14-15-32(40)36-16-18-43-19-17-36)22-30(38)24(3)35-34(42)27(20-25-10-6-4-7-11-25)21-31(39)26-12-8-5-9-13-26/h4-13,23-24,27-28H,14-22H2,1-3H3,(H,35,42)/t24-,27+,28-/m0/s1
InChIKeyQFGNOJNJDUKCLV-VCTRFXNDSA-N
MW590.72 g/mol
LogP3.63
Rot. Bonds16

About (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide

(2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide (PubChem CID 149030050) has the molecular formula C34H42N2O7 and a molecular weight of 590.72 g/mol. Its IUPAC name is (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide
PubChem CID149030050
Molecular FormulaC34H42N2O7
Molecular Weight590.72 g/mol
Exact Mass590.30
IUPAC Name(2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide
SMILESCC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)Cc1ccccc1)C(=O)C(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C34H42N2O7/c1-23(2)28(33(41)29(37)14-15-32(40)36-16-18-43-19-17-36)22-30(38)24(3)35-34(42)27(20-25-10-6-4-7-11-25)21-31(39)26-12-8-5-9-13-26/h4-13,23-24,27-28H,14-22H2,1-3H3,(H,35,42)/t24-,27+,28-/m0/s1
InChIKeyQFGNOJNJDUKCLV-VCTRFXNDSA-N
XLogP3.63
TPSA126.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide 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

(2S)-3,3-dimethyl-2-phenacyl-N-[(2S,5S)-3,6,7,10-tetraoxo-10-piperidin-1-yl-5-propan-2-yldecan-2-yl]butanamide
CID 147001363
(2R)-2-benzyl-N-[(2S,5S)-9-(4-methylsulfonylphenyl)-3,6,7-trioxo-5-propan-2-ylnonan-2-yl]-4-oxo-4-pyridin-4-ylbutanamide
CID 158837427
(2R)-2-benzyl-N-[(2S)-7-[4-(dimethylamino)piperidin-1-yl]-3,6,7-trioxoheptan-2-yl]-4-oxo-4-phenylbutanamide
CID 147504015
(2R)-2-benzyl-4-oxo-4-pyridin-4-yl-N-[(2S,5S)-3,6,7-trioxo-5-propan-2-yl-9-(3-sulfamoylphenyl)nonan-2-yl]butanamide
CID 147815570
(2R)-2-benzyl-N-[(2S,5S)-5-tert-butyl-8-cyclohexyl-3,6,7-trioxooctan-2-yl]-4-oxo-4-phenylbutanamide
CID 161251890
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
2-(benzylsulfonylmethyl)-N-(1,2-dioxo-1-phenylheptan-3-yl)-4-morpholin-4-yl-4-oxobutanamide
CID 10281040
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide
CID 95302963
(2S)-N-[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-benzyl-4-morpholin-4-yl-4-oxobutanamide
CID 67847838
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide?
The IUPAC name of (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide (CID 149030050) is (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide is CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)Cc1ccccc1)C(=O)C(=O)CCC(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide?
The InChIKey is QFGNOJNJDUKCLV-VCTRFXNDSA-N. The full InChI is InChI=1S/C34H42N2O7/c1-23(2)28(33(41)29(37)14-15-32(40)36-16-18-43-19-17-36)22-30(38)24(3)35-34(42)27(20-25-10-6-4-7-11-25)21-31(39)26-12-8-5-9-13-26/h4-13,23-24,27-28H,14-22H2,1-3H3,(H,35,42)/t24-,27+,28-/m0/s1.
What are the key properties of (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide?
(2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide has a molecular weight of 590.72 g/mol, XLogP of 3.63, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-[(2S,5S)-10-morpholin-4-yl-3,6,7,10-tetraoxo-5-propan-2-yldecan-2-yl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 149030050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).