N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide

C14H18N2O3 — CID 115877489

IUPACN-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC1(CO)CC1)C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-16(13(19)11-5-3-2-4-6-11)9-12(18)15-14(10-17)7-8-14/h2-6,17H,7-10H2,1H3,(H,15,18)
InChIKeyYJXNKJGPWWXCKW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.40
Rot. Bonds5

About N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide

N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 115877489) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide
PubChem CID115877489
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC1(CO)CC1)C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-16(13(19)11-5-3-2-4-6-11)9-12(18)15-14(10-17)7-8-14/h2-6,17H,7-10H2,1H3,(H,15,18)
InChIKeyYJXNKJGPWWXCKW-UHFFFAOYSA-N
XLogP0.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide 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

N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 62518984
1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449986
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-methyl-N-[2-[(3-methyloxetan-3-yl)methylamino]-2-oxoethyl]benzamide
CID 78956835
N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide
CID 111696877
N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 106164142
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427325
(2S)-2-[[2-[benzoyl(methyl)amino]acetyl]amino]-4-hydroxybutanoic acid
CID 107821764
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106107222
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 64672049

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide (CID 115877489) is N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NC1(CO)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is YJXNKJGPWWXCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(13(19)11-5-3-2-4-6-11)9-12(18)15-14(10-17)7-8-14/h2-6,17H,7-10H2,1H3,(H,15,18).
What are the key properties of N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 115877489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).