2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide

C24H29N5O3 — CID 42724418

IUPAC2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
SMILESN#Cc1cccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C24H29N5O3/c25-18-20-8-4-9-21(16-20)27-24(31)28-22(17-19-6-2-1-3-7-19)23(30)26-10-5-11-29-12-14-32-15-13-29/h1-4,6-9,16,22H,5,10-15,17H2,(H,26,30)(H2,27,28,31)
InChIKeyVPDJCFZRXCDMCL-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.13
Rot. Bonds9

About 2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide

2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide (PubChem CID 42724418) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
PubChem CID42724418
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
SMILESN#Cc1cccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C24H29N5O3/c25-18-20-8-4-9-21(16-20)27-24(31)28-22(17-19-6-2-1-3-7-19)23(30)26-10-5-11-29-12-14-32-15-13-29/h1-4,6-9,16,22H,5,10-15,17H2,(H,26,30)(H2,27,28,31)
InChIKeyVPDJCFZRXCDMCL-UHFFFAOYSA-N
XLogP2.13
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
CID 126841018
N-[1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55342022
ethyl 4-[[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]benzoate
CID 42701999
1-amino-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 161168424
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
N-(cyanomethyl)-2-[(4-cyanophenyl)carbamoylamino]-3-phenylpropanamide
CID 87927842
tert-butyl N-[1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 72811822
1-(3-cyanophenyl)-3-[3-[3-(2-phenylethyl)piperidin-1-yl]propyl]urea
CID 22393346
(2S)-2-[(4-iodophenyl)carbamoylamino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 58843181
1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8679916
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
The IUPAC name of 2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide (CID 42724418) is 2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide is N#Cc1cccc(NC(=O)NC(Cc2ccccc2)C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
The InChIKey is VPDJCFZRXCDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c25-18-20-8-4-9-21(16-20)27-24(31)28-22(17-19-6-2-1-3-7-19)23(30)26-10-5-11-29-12-14-32-15-13-29/h1-4,6-9,16,22H,5,10-15,17H2,(H,26,30)(H2,27,28,31).
What are the key properties of 2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide has a molecular weight of 435.53 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 42724418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).