4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride

C18H28ClN3O2 — CID 119295324

IUPAC4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride
SMILESCCCCNC(=O)c1ccc(CNC(=O)C2(N)CCCC2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-3-12-20-16(22)15-8-6-14(7-9-15)13-21-17(23)18(19)10-4-5-11-18;/h6-9H,2-5,10-13,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyMDVDAHBPDBEERK-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.53
Rot. Bonds7

About 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride

4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride (PubChem CID 119295324) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride
PubChem CID119295324
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride
SMILESCCCCNC(=O)c1ccc(CNC(=O)C2(N)CCCC2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-3-12-20-16(22)15-8-6-14(7-9-15)13-21-17(23)18(19)10-4-5-11-18;/h6-9H,2-5,10-13,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyMDVDAHBPDBEERK-UHFFFAOYSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-N-[[4-(butylcarbamoyl)phenyl]methyl]-2-methylthiolane-2-carboxamide
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N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
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1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
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N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119278245
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4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-methylbenzamide;hydrochloride
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N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride?
The IUPAC name of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride (CID 119295324) is 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride?
The canonical SMILES for 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride is CCCCNC(=O)c1ccc(CNC(=O)C2(N)CCCC2)cc1.Cl.
What is the InChIKey of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride?
The InChIKey is MDVDAHBPDBEERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-2-3-12-20-16(22)15-8-6-14(7-9-15)13-21-17(23)18(19)10-4-5-11-18;/h6-9H,2-5,10-13,19H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride?
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride is sourced from PubChem (CID 119295324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).