4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride

C17H24ClN3O2 — CID 119740942

IUPAC4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride
SMILESC=CCNC(=O)c1ccc(NC(=O)C2(CN)CCCC2)cc1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-2-11-19-15(21)13-5-7-14(8-6-13)20-16(22)17(12-18)9-3-4-10-17;/h2,5-8H,1,3-4,9-12,18H2,(H,19,21)(H,20,22);1H
InChIKeyMQVDAHITHAWMLU-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.48
Rot. Bonds6

About 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride

4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride (PubChem CID 119740942) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride
PubChem CID119740942
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride
SMILESC=CCNC(=O)c1ccc(NC(=O)C2(CN)CCCC2)cc1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-2-11-19-15(21)13-5-7-14(8-6-13)20-16(22)17(12-18)9-3-4-10-17;/h2,5-8H,1,3-4,9-12,18H2,(H,19,21)(H,20,22);1H
InChIKeyMQVDAHITHAWMLU-UHFFFAOYSA-N
XLogP2.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[4-(prop-2-enylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926631
4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922928
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920
4-(aminomethyl)-N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120923512

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride?
The IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride (CID 119740942) is 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride is C=CCNC(=O)c1ccc(NC(=O)C2(CN)CCCC2)cc1.Cl.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride?
The InChIKey is MQVDAHITHAWMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-2-11-19-15(21)13-5-7-14(8-6-13)20-16(22)17(12-18)9-3-4-10-17;/h2,5-8H,1,3-4,9-12,18H2,(H,19,21)(H,20,22);1H.
What are the key properties of 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride?
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride is sourced from PubChem (CID 119740942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).