2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide

C16H21N3O2 — CID 108914030

IUPAC2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide
SMILESC/C(=C\NC(=O)Nc1ccccc1C(N)=O)C1CCCC1
InChIInChI=1S/C16H21N3O2/c1-11(12-6-2-3-7-12)10-18-16(21)19-14-9-5-4-8-13(14)15(17)20/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,17,20)(H2,18,19,21)/b11-10+
InChIKeyNEBZQFFDTFLFLC-ZHACJKMWSA-N
MW287.36 g/mol
LogP3.00
Rot. Bonds4

About 2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide

2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide (PubChem CID 108914030) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide
PubChem CID108914030
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide
SMILESC/C(=C\NC(=O)Nc1ccccc1C(N)=O)C1CCCC1
InChIInChI=1S/C16H21N3O2/c1-11(12-6-2-3-7-12)10-18-16(21)19-14-9-5-4-8-13(14)15(17)20/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,17,20)(H2,18,19,21)/b11-10+
InChIKeyNEBZQFFDTFLFLC-ZHACJKMWSA-N
XLogP3.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea
CID 108913957
1-[(E)-2-cyclopentylprop-1-enyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108913872
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea
CID 108914116
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea
CID 108914095
cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920114
2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide
CID 108907397
2-[(2-cyclopropyl-2-phenylacetyl)amino]benzamide
CID 110675339
1-cyclopentyl-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913852
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43106577
2-[(2-cyclohexyloxyacetyl)amino]benzamide
CID 47242614

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide?
The IUPAC name of 2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide (CID 108914030) is 2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide.
What is the SMILES notation for 2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide?
The canonical SMILES for 2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide is C/C(=C\NC(=O)Nc1ccccc1C(N)=O)C1CCCC1.
What is the InChIKey of 2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide?
The InChIKey is NEBZQFFDTFLFLC-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(12-6-2-3-7-12)10-18-16(21)19-14-9-5-4-8-13(14)15(17)20/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,17,20)(H2,18,19,21)/b11-10+.
What are the key properties of 2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide?
2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide has a molecular weight of 287.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide is sourced from PubChem (CID 108914030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).