3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide

C25H33N3O3 — CID 42706802

IUPAC3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide
SMILESCOc1ccccc1NC(=O)NCCCN(C(=O)CCC1CCCC1)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-31-23-15-8-7-14-22(23)27-25(30)26-18-9-19-28(21-12-3-2-4-13-21)24(29)17-16-20-10-5-6-11-20/h2-4,7-8,12-15,20H,5-6,9-11,16-19H2,1H3,(H2,26,27,30)
InChIKeyKILNVEFXMXQYSN-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.21
Rot. Bonds10

About 3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide

3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide (PubChem CID 42706802) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide
PubChem CID42706802
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide
SMILESCOc1ccccc1NC(=O)NCCCN(C(=O)CCC1CCCC1)c1ccccc1
InChIInChI=1S/C25H33N3O3/c1-31-23-15-8-7-14-22(23)27-25(30)26-18-9-19-28(21-12-3-2-4-13-21)24(29)17-16-20-10-5-6-11-20/h2-4,7-8,12-15,20H,5-6,9-11,16-19H2,1H3,(H2,26,27,30)
InChIKeyKILNVEFXMXQYSN-UHFFFAOYSA-N
XLogP5.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-3-cyclopentyl-N-phenylpropanamide
CID 42706790
3-(4-methoxyphenyl)-1-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-1-(4-phenoxyphenyl)urea
CID 3919297
1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea
CID 100747076
3-(2-methoxyphenyl)-1-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42705271
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(3-cyanopropyl)-3-(2-methoxyphenyl)urea
CID 62666828
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide?
The IUPAC name of 3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide (CID 42706802) is 3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide is COc1ccccc1NC(=O)NCCCN(C(=O)CCC1CCCC1)c1ccccc1.
What is the InChIKey of 3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide?
The InChIKey is KILNVEFXMXQYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-31-23-15-8-7-14-22(23)27-25(30)26-18-9-19-28(21-12-3-2-4-13-21)24(29)17-16-20-10-5-6-11-20/h2-4,7-8,12-15,20H,5-6,9-11,16-19H2,1H3,(H2,26,27,30).
What are the key properties of 3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide?
3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide has a molecular weight of 423.56 g/mol, XLogP of 5.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide is sourced from PubChem (CID 42706802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).