4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

C13H17NO3 — CID 113313378

IUPAC4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(CO)CC1)c1ccc(CO)cc1
InChIInChI=1S/C13H17NO3/c15-7-10-1-3-11(4-2-10)12(17)14-8-13(9-16)5-6-13/h1-4,15-16H,5-9H2,(H,14,17)
InChIKeySFXNNYDRMLLHCW-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.68
Rot. Bonds5

About 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (PubChem CID 113313378) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
PubChem CID113313378
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(CO)CC1)c1ccc(CO)cc1
InChIInChI=1S/C13H17NO3/c15-7-10-1-3-11(4-2-10)12(17)14-8-13(9-16)5-6-13/h1-4,15-16H,5-9H2,(H,14,17)
InChIKeySFXNNYDRMLLHCW-UHFFFAOYSA-N
XLogP0.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717510
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80708473
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 80712294
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(methanesulfonamido)benzamide
CID 80717767
3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
CID 113434894
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937
4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
CID 138034914
N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 80716840

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (CID 113313378) is 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is O=C(NCC1(CO)CC1)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The InChIKey is SFXNNYDRMLLHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-7-10-1-3-11(4-2-10)12(17)14-8-13(9-16)5-6-13/h1-4,15-16H,5-9H2,(H,14,17).
What are the key properties of 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide has a molecular weight of 235.28 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 113313378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).