1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C16H29N3O3 — CID 75426929

IUPAC1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1(CNC(=O)NC2(CO)CCCC2)CCCC1
InChIInChI=1S/C16H29N3O3/c1-19(2)13(21)15(7-3-4-8-15)11-17-14(22)18-16(12-20)9-5-6-10-16/h20H,3-12H2,1-2H3,(H2,17,18,22)
InChIKeyITZHTKNGAWNQDR-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.24
Rot. Bonds5

About 1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 75426929) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID75426929
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1(CNC(=O)NC2(CO)CCCC2)CCCC1
InChIInChI=1S/C16H29N3O3/c1-19(2)13(21)15(7-3-4-8-15)11-17-14(22)18-16(12-20)9-5-6-10-16/h20H,3-12H2,1-2H3,(H2,17,18,22)
InChIKeyITZHTKNGAWNQDR-UHFFFAOYSA-N
XLogP1.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.24
H-Bond Donors ≤ 53
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
4-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzene-1,4-dicarboxamide
CID 119129641
1-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 122563950
1-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 125441465
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119325049
1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122002090
1-[(dimethylaminocarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 83018157
N,N-dimethyl-1-[[[N'-methyl-N-[(1-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 119161669
1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110008531
1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 119140423
2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
CID 64699672
1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride
CID 120610787

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 75426929) is 1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CN(C)C(=O)C1(CNC(=O)NC2(CO)CCCC2)CCCC1.
What is the InChIKey of 1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is ITZHTKNGAWNQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-19(2)13(21)15(7-3-4-8-15)11-17-14(22)18-16(12-20)9-5-6-10-16/h20H,3-12H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(hydroxymethyl)cyclopentyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 75426929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).