N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide

C13H17NO2 — CID 115764896

IUPACN-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2(CO)CC2)cc1C
InChIInChI=1S/C13H17NO2/c1-9-3-4-11(7-10(9)2)12(16)14-13(8-15)5-6-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyNGWBDEXLCAEUAJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.56
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide

N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide (PubChem CID 115764896) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
PubChem CID115764896
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2(CO)CC2)cc1C
InChIInChI=1S/C13H17NO2/c1-9-3-4-11(7-10(9)2)12(16)14-13(8-15)5-6-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyNGWBDEXLCAEUAJ-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
4-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 89028285
4-tert-butyl-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764816
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
CID 168957468
ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
CID 168957527

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide (CID 115764896) is N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC2(CO)CC2)cc1C.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide?
The InChIKey is NGWBDEXLCAEUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-3-4-11(7-10(9)2)12(16)14-13(8-15)5-6-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide?
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide has a molecular weight of 219.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 115764896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).