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

C16H22N2O3 — CID 62518984

IUPACN-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC1(CO)CCCC1)C(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-18(15(21)13-7-3-2-4-8-13)11-14(20)17-16(12-19)9-5-6-10-16/h2-4,7-8,19H,5-6,9-12H2,1H3,(H,17,20)
InChIKeyGPSUJBNCLGTULM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.18
Rot. Bonds5

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

N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 62518984) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide
PubChem CID62518984
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC1(CO)CCCC1)C(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-18(15(21)13-7-3-2-4-8-13)11-14(20)17-16(12-19)9-5-6-10-16/h2-4,7-8,19H,5-6,9-12H2,1H3,(H,17,20)
InChIKeyGPSUJBNCLGTULM-UHFFFAOYSA-N
XLogP1.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 115877489
1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449986
1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110008531
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-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 119564929
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
phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
CID 62521229
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427325

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide (CID 62518984) is N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NC1(CO)CCCC1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is GPSUJBNCLGTULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(15(21)13-7-3-2-4-8-13)11-14(20)17-16(12-19)9-5-6-10-16/h2-4,7-8,19H,5-6,9-12H2,1H3,(H,17,20).
What are the key properties of N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 290.36 g/mol, XLogP of 1.18, 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)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 62518984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).