N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide

C12H15NO3 — CID 115764584

IUPACN-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2(CO)CC2)c1
InChIInChI=1S/C12H15NO3/c1-16-10-4-2-3-9(7-10)11(15)13-12(8-14)5-6-12/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)
InChIKeyLQOCCFZODTVGDM-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.95
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide

N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide (PubChem CID 115764584) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
PubChem CID115764584
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2(CO)CC2)c1
InChIInChI=1S/C12H15NO3/c1-16-10-4-2-3-9(7-10)11(15)13-12(8-14)5-6-12/h2-4,7,14H,5-6,8H2,1H3,(H,13,15)
InChIKeyLQOCCFZODTVGDM-UHFFFAOYSA-N
XLogP0.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide
CID 113337544
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide (CID 115764584) is N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide is COc1cccc(C(=O)NC2(CO)CC2)c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide?
The InChIKey is LQOCCFZODTVGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-10-4-2-3-9(7-10)11(15)13-12(8-14)5-6-12/h2-4,7,14H,5-6,8H2,1H3,(H,13,15).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide?
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide has a molecular weight of 221.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide is sourced from PubChem (CID 115764584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).