5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

C25H34N4O3 — CID 4990355

IUPAC5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCCc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C25H34N4O3/c1-3-19-10-5-6-11-22(19)28-25(31)27-20-12-13-23(29-15-7-4-8-16-29)21(18-20)24(30)26-14-9-17-32-2/h5-6,10-13,18H,3-4,7-9,14-17H2,1-2H3,(H,26,30)(H2,27,28,31)
InChIKeyGBSTXNTWFLXYFT-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.65
Rot. Bonds9

About 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (PubChem CID 4990355) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
PubChem CID4990355
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCCc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C25H34N4O3/c1-3-19-10-5-6-11-22(19)28-25(31)27-20-12-13-23(29-15-7-4-8-16-29)21(18-20)24(30)26-14-9-17-32-2/h5-6,10-13,18H,3-4,7-9,14-17H2,1-2H3,(H,26,30)(H2,27,28,31)
InChIKeyGBSTXNTWFLXYFT-UHFFFAOYSA-N
XLogP4.65
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide 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

5-[(2-ethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4643884
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
N-(3-ethoxypropyl)-5-[(2-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3883995
N-(3-ethoxypropyl)-5-[(2-ethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42662088
5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661949
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661960
5-[(2,2-diphenylacetyl)amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3595369
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3260050
5-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42661850
N-(3-methoxypropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42757207
5-[(2-methoxybenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 4691580

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (CID 4990355) is 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is CCc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCCCOC)c1.
What is the InChIKey of 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The InChIKey is GBSTXNTWFLXYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-3-19-10-5-6-11-22(19)28-25(31)27-20-12-13-23(29-15-7-4-8-16-29)21(18-20)24(30)26-14-9-17-32-2/h5-6,10-13,18H,3-4,7-9,14-17H2,1-2H3,(H,26,30)(H2,27,28,31).
What are the key properties of 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide has a molecular weight of 438.57 g/mol, XLogP of 4.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 4990355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).