N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide

C15H21NO2 — CID 82828965

IUPACN-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)CC1CCCC1
InChIInChI=1S/C15H21NO2/c1-11-13(8-5-9-14(11)17)15(18)16(2)10-12-6-3-4-7-12/h5,8-9,12,17H,3-4,6-7,10H2,1-2H3
InChIKeyQWTPNERDWWJUKO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds3

About N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide

N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide (PubChem CID 82828965) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
PubChem CID82828965
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)CC1CCCC1
InChIInChI=1S/C15H21NO2/c1-11-13(8-5-9-14(11)17)15(18)16(2)10-12-6-3-4-7-12/h5,8-9,12,17H,3-4,6-7,10H2,1-2H3
InChIKeyQWTPNERDWWJUKO-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 80707237
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzamide
CID 63656583
2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82829120
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
CID 103752776

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide?
The IUPAC name of N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide (CID 82828965) is N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide is Cc1c(O)cccc1C(=O)N(C)CC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide?
The InChIKey is QWTPNERDWWJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-13(8-5-9-14(11)17)15(18)16(2)10-12-6-3-4-7-12/h5,8-9,12,17H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide?
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide is sourced from PubChem (CID 82828965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).