3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide

C15H22N2O2 — CID 61115530

IUPAC3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)N(CCO)C1CCCC1
InChIInChI=1S/C15H22N2O2/c1-11-13(7-4-8-14(11)16)15(19)17(9-10-18)12-5-2-3-6-12/h4,7-8,12,18H,2-3,5-6,9-10,16H2,1H3
InChIKeyYYEDWKFLDMQZIS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds4

About 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide

3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 61115530) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID61115530
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)N(CCO)C1CCCC1
InChIInChI=1S/C15H22N2O2/c1-11-13(7-4-8-14(11)16)15(19)17(9-10-18)12-5-2-3-6-12/h4,7-8,12,18H,2-3,5-6,9-10,16H2,1H3
InChIKeyYYEDWKFLDMQZIS-UHFFFAOYSA-N
XLogP1.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62662448
2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
CID 102858927
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60959224
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897
2-amino-N-cyclopentyl-6-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81396135
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740
2-amino-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 107074484
3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 114011338
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 61108342

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide (CID 61115530) is 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)N(CCO)C1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is YYEDWKFLDMQZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-13(7-4-8-14(11)16)15(19)17(9-10-18)12-5-2-3-6-12/h4,7-8,12,18H,2-3,5-6,9-10,16H2,1H3.
What are the key properties of 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide?
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 61115530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).