4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride

C19H26ClN3O2 — CID 119739172

IUPAC4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-3-11-22(12-4-2)19(24)14-6-9-17(10-7-14)21-18(23)15-5-8-16(20)13-15;/h3-4,6-7,9-10,15-16H,1-2,5,8,11-13,20H2,(H,21,23);1H
InChIKeyJSBARBRRLOMRBD-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.99
Rot. Bonds7

About 4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride

4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride (PubChem CID 119739172) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride
PubChem CID119739172
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-3-11-22(12-4-2)19(24)14-6-9-17(10-7-14)21-18(23)15-5-8-16(20)13-15;/h3-4,6-7,9-10,15-16H,1-2,5,8,11-13,20H2,(H,21,23);1H
InChIKeyJSBARBRRLOMRBD-UHFFFAOYSA-N
XLogP2.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.99
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-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
CID 119739177
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671365
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 119702306
4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 119726163
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119685392
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119719008
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
CID 119685393

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride?
The IUPAC name of 4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride (CID 119739172) is 4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride?
The canonical SMILES for 4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride is C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1.Cl.
What is the InChIKey of 4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride?
The InChIKey is JSBARBRRLOMRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c1-3-11-22(12-4-2)19(24)14-6-9-17(10-7-14)21-18(23)15-5-8-16(20)13-15;/h3-4,6-7,9-10,15-16H,1-2,5,8,11-13,20H2,(H,21,23);1H.
What are the key properties of 4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride?
4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride is sourced from PubChem (CID 119739172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).