1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide

C16H22N2O3 — CID 110008531

IUPAC1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCN(C)C(=O)c1cccc(C(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-18(2)15(21)13-7-5-6-12(10-13)14(20)17-16(11-19)8-3-4-9-16/h5-7,10,19H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKeySUYOXCZDPWCLBS-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.42
Rot. Bonds4

About 1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide

1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 110008531) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID110008531
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCN(C)C(=O)c1cccc(C(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-18(2)15(21)13-7-5-6-12(10-13)14(20)17-16(11-19)8-3-4-9-16/h5-7,10,19H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKeySUYOXCZDPWCLBS-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 119350549
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 119568500
N-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 62518984
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
3-(dimethylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525606
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 62517382

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 110008531) is 1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide is CN(C)C(=O)c1cccc(C(=O)NC2(CO)CCCC2)c1.
What is the InChIKey of 1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is SUYOXCZDPWCLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(2)15(21)13-7-5-6-12(10-13)14(20)17-16(11-19)8-3-4-9-16/h5-7,10,19H,3-4,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of 1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 110008531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).