2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide

C31H44N4O4 — CID 11512168

IUPAC2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide
SMILESCCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C31H44N4O4/c1-4-26(29(36)32-16-11-17-35-18-20-39-21-19-35)33-30(37)27(22-23(2)3)34-31(38)28(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-10,12-15,23,26-28H,4,11,16-22H2,1-3H3,(H,32,36)(H,33,37)(H,34,38)
InChIKeyDAKJGKCYTBXBJL-UHFFFAOYSA-N
MW536.72 g/mol
LogP3.08
Rot. Bonds14

About 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide

2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide (PubChem CID 11512168) has the molecular formula C31H44N4O4 and a molecular weight of 536.72 g/mol. Its IUPAC name is 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide.

Molecular Properties

Compound Name2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide
PubChem CID11512168
Molecular FormulaC31H44N4O4
Molecular Weight536.72 g/mol
Exact Mass536.34
IUPAC Name2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide
SMILESCCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C31H44N4O4/c1-4-26(29(36)32-16-11-17-35-18-20-39-21-19-35)33-30(37)27(22-23(2)3)34-31(38)28(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-10,12-15,23,26-28H,4,11,16-22H2,1-3H3,(H,32,36)(H,33,37)(H,34,38)
InChIKeyDAKJGKCYTBXBJL-UHFFFAOYSA-N
XLogP3.08
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.72
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide with MolForge

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Related Compounds

(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide
CID 6722979
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-(3-morpholin-4-ylpropylamino)-3,4-dioxo-1-phenylbutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 10483050
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
3-methyl-N-[(1R)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140732
3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140730
3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
CID 43204989
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
(2R)-2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 95284676
N-(3-morpholin-4-ylpropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51162206
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide?
The IUPAC name of 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide (CID 11512168) is 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide.
What is the SMILES notation for 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide?
The canonical SMILES for 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide is CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide?
The InChIKey is DAKJGKCYTBXBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O4/c1-4-26(29(36)32-16-11-17-35-18-20-39-21-19-35)33-30(37)27(22-23(2)3)34-31(38)28(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-10,12-15,23,26-28H,4,11,16-22H2,1-3H3,(H,32,36)(H,33,37)(H,34,38).
What are the key properties of 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide?
2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide has a molecular weight of 536.72 g/mol, XLogP of 3.08, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide is sourced from PubChem (CID 11512168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).