5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride

C16H24ClN3O2 — CID 119337791

IUPAC5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(N)CCCC2)cc1C(=O)N(C)C.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-6-7-12(10-13(11)14(20)19(2)3)18-15(21)16(17)8-4-5-9-16;/h6-7,10H,4-5,8-9,17H2,1-3H3,(H,18,21);1H
InChIKeyNZKIUWQZIFXMBX-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.33
Rot. Bonds3

About 5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride

5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride (PubChem CID 119337791) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
PubChem CID119337791
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(N)CCCC2)cc1C(=O)N(C)C.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-6-7-12(10-13(11)14(20)19(2)3)18-15(21)16(17)8-4-5-9-16;/h6-7,10H,4-5,8-9,17H2,1-3H3,(H,18,21);1H
InChIKeyNZKIUWQZIFXMBX-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119808581
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321734
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119263744
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide
CID 81171897
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride?
The IUPAC name of 5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride (CID 119337791) is 5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride?
The canonical SMILES for 5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride is Cc1ccc(NC(=O)C2(N)CCCC2)cc1C(=O)N(C)C.Cl.
What is the InChIKey of 5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride?
The InChIKey is NZKIUWQZIFXMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11-6-7-12(10-13(11)14(20)19(2)3)18-15(21)16(17)8-4-5-9-16;/h6-7,10H,4-5,8-9,17H2,1-3H3,(H,18,21);1H.
What are the key properties of 5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride?
5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride is sourced from PubChem (CID 119337791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).