5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride

C18H27ClN2O2 — CID 120636360

IUPAC5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(CC1CCCO1)C1CCCC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-8-9-14(19)11-17(13)18(21)20(15-5-2-3-6-15)12-16-7-4-10-22-16;/h8-9,11,15-16H,2-7,10,12,19H2,1H3;1H
InChIKeyWCHCYZIIMAMWCM-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.56
Rot. Bonds4

About 5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride

5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride (PubChem CID 120636360) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
PubChem CID120636360
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(CC1CCCO1)C1CCCC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-8-9-14(19)11-17(13)18(21)20(15-5-2-3-6-15)12-16-7-4-10-22-16;/h8-9,11,15-16H,2-7,10,12,19H2,1H3;1H
InChIKeyWCHCYZIIMAMWCM-UHFFFAOYSA-N
XLogP3.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 120636361
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
5-amino-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120623170
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate
CID 65166146
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride (CID 120636360) is 5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)N(CC1CCCO1)C1CCCC1.Cl.
What is the InChIKey of 5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is WCHCYZIIMAMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-13-8-9-14(19)11-17(13)18(21)20(15-5-2-3-6-15)12-16-7-4-10-22-16;/h8-9,11,15-16H,2-7,10,12,19H2,1H3;1H.
What are the key properties of 5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride?
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 120636360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).