5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide

C15H22N2O — CID 63632081

IUPAC5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)CC1CCCC1
InChIInChI=1S/C15H22N2O/c1-11-7-8-13(16)9-14(11)15(18)17(2)10-12-5-3-4-6-12/h7-9,12H,3-6,10,16H2,1-2H3
InChIKeyVXYUTFVFNAUIAX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds3

About 5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide

5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide (PubChem CID 63632081) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
PubChem CID63632081
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
SMILESCc1ccc(N)cc1C(=O)N(C)CC1CCCC1
InChIInChI=1S/C15H22N2O/c1-11-7-8-13(16)9-14(11)15(18)17(2)10-12-5-3-4-6-12/h7-9,12H,3-6,10,16H2,1-2H3
InChIKeyVXYUTFVFNAUIAX-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 120643725
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
CID 120632735
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 61292517
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide (CID 63632081) is 5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide is Cc1ccc(N)cc1C(=O)N(C)CC1CCCC1.
What is the InChIKey of 5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide?
The InChIKey is VXYUTFVFNAUIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-8-13(16)9-14(11)15(18)17(2)10-12-5-3-4-6-12/h7-9,12H,3-6,10,16H2,1-2H3.
What are the key properties of 5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide?
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 63632081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).