N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide

C14H19NO3 — CID 113347161

IUPACN-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H19NO3/c1-15(9-10-4-2-3-5-10)14(18)12-7-6-11(16)8-13(12)17/h6-8,10,16-17H,2-5,9H2,1H3
InChIKeyGGHLZUNXKMVAIU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.36
Rot. Bonds3

About N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide

N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide (PubChem CID 113347161) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
PubChem CID113347161
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
SMILESCN(CC1CCCC1)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H19NO3/c1-15(9-10-4-2-3-5-10)14(18)12-7-6-11(16)8-13(12)17/h6-8,10,16-17H,2-5,9H2,1H3
InChIKeyGGHLZUNXKMVAIU-UHFFFAOYSA-N
XLogP2.36
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
N-(cyclohexylmethyl)-4-hydroxy-N-methylbenzamide
CID 54948596
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 80707237
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234296
methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
CID 43422761

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide (CID 113347161) is N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide is CN(CC1CCCC1)C(=O)c1ccc(O)cc1O.
What is the InChIKey of N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide?
The InChIKey is GGHLZUNXKMVAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(9-10-4-2-3-5-10)14(18)12-7-6-11(16)8-13(12)17/h6-8,10,16-17H,2-5,9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide?
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 113347161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).