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

C14H19NO2 — CID 82829035

IUPACN-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)CC1CCC1
InChIInChI=1S/C14H19NO2/c1-10-12(7-4-8-13(10)16)14(17)15(2)9-11-5-3-6-11/h4,7-8,11,16H,3,5-6,9H2,1-2H3
InChIKeyPHFVQKGKWWDTFJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.57
Rot. Bonds3

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

N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide (PubChem CID 82829035) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
PubChem CID82829035
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)CC1CCC1
InChIInChI=1S/C14H19NO2/c1-10-12(7-4-8-13(10)16)14(17)15(2)9-11-5-3-6-11/h4,7-8,11,16H,3,5-6,9H2,1-2H3
InChIKeyPHFVQKGKWWDTFJ-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
CID 103752776
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82829120
N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 79886002
N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62856801
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
N-(cyclohexylmethyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 80707237

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide?
The IUPAC name of N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide (CID 82829035) is N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide is Cc1c(O)cccc1C(=O)N(C)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide?
The InChIKey is PHFVQKGKWWDTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-12(7-4-8-13(10)16)14(17)15(2)9-11-5-3-6-11/h4,7-8,11,16H,3,5-6,9H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide?
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide is sourced from PubChem (CID 82829035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).