4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide

C19H25N3O2 — CID 119298023

IUPAC4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-3-13-22(14-4-2)17(23)15-7-9-16(10-8-15)21-18(24)19(20)11-5-6-12-19/h3-4,7-10H,1-2,5-6,11-14,20H2,(H,21,24)
InChIKeyHCBSCWHKUIASCC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.71
Rot. Bonds7

About 4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide

4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide (PubChem CID 119298023) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
PubChem CID119298023
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-3-13-22(14-4-2)17(23)15-7-9-16(10-8-15)21-18(24)19(20)11-5-6-12-19/h3-4,7-10H,1-2,5-6,11-14,20H2,(H,21,24)
InChIKeyHCBSCWHKUIASCC-UHFFFAOYSA-N
XLogP2.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
CID 119739177
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
2-[[4-[(1-aminocyclobutanecarbonyl)amino]benzoyl]amino]acetic acid
CID 81173192
4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115776053
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide
CID 119739183
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride
CID 119739172
N,N-bis(prop-2-enyl)-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119739199
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide (CID 119298023) is 4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(N)CCCC2)cc1.
What is the InChIKey of 4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is HCBSCWHKUIASCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-13-22(14-4-2)17(23)15-7-9-16(10-8-15)21-18(24)19(20)11-5-6-12-19/h3-4,7-10H,1-2,5-6,11-14,20H2,(H,21,24).
What are the key properties of 4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?
4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 119298023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).