1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide

C16H22N2O3 — CID 110008768

IUPAC1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-18(2)15(21)13-7-5-12(6-8-13)14(20)17-16(11-19)9-3-4-10-16/h5-8,19H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyILOREKRPWMERAC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.42
Rot. Bonds4

About 1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide

1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide (PubChem CID 110008768) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
PubChem CID110008768
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-18(2)15(21)13-7-5-12(6-8-13)14(20)17-16(11-19)9-3-4-10-16/h5-8,19H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyILOREKRPWMERAC-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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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide (CID 110008768) is 1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide is CN(C)C(=O)c1ccc(C(=O)NC2(CO)CCCC2)cc1.
What is the InChIKey of 1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The InChIKey is ILOREKRPWMERAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(2)15(21)13-7-5-12(6-8-13)14(20)17-16(11-19)9-3-4-10-16/h5-8,19H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of 1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-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]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 110008768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).