2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide

C16H20N4O2 — CID 47075796

IUPAC2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
SMILESCC(NC(=O)Nc1cccc(C#N)c1)C(=O)NC1CCCC1
InChIInChI=1S/C16H20N4O2/c1-11(15(21)19-13-6-2-3-7-13)18-16(22)20-14-8-4-5-12(9-14)10-17/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyNLSCJCXNKMIMGJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.13
Rot. Bonds4

About 2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide

2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide (PubChem CID 47075796) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
PubChem CID47075796
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
SMILESCC(NC(=O)Nc1cccc(C#N)c1)C(=O)NC1CCCC1
InChIInChI=1S/C16H20N4O2/c1-11(15(21)19-13-6-2-3-7-13)18-16(22)20-14-8-4-5-12(9-14)10-17/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyNLSCJCXNKMIMGJ-UHFFFAOYSA-N
XLogP2.13
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 94779767
1-(3-cyanophenyl)-3-(3-oxobutan-2-yl)urea
CID 64993876
N-tert-butyl-2-[(3-cyanophenyl)carbamoylamino]propanamide
CID 47075829
1-(3-cyanophenyl)-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 94817434
1-(2-amino-1-cyclopentylethyl)-3-(3-cyanophenyl)urea
CID 106737757
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303
1-[4-(3-cyanoanilino)phenyl]-3-cyclohexylurea
CID 112989973
N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide
CID 47075790
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
1-(3-cyanophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023685
2-[(4-chlorophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075783

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide (CID 47075796) is 2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide is CC(NC(=O)Nc1cccc(C#N)c1)C(=O)NC1CCCC1.
What is the InChIKey of 2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide?
The InChIKey is NLSCJCXNKMIMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(15(21)19-13-6-2-3-7-13)18-16(22)20-14-8-4-5-12(9-14)10-17/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide?
2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 47075796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).