2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide

C14H27N3O3 — CID 62520053

IUPAC2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C14H27N3O3/c1-3-10(2)11(16-13(15)20)12(19)17-14(9-18)7-5-4-6-8-14/h10-11,18H,3-9H2,1-2H3,(H,17,19)(H3,15,16,20)
InChIKeyDLKVCMQWXWGKCC-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.88
Rot. Bonds6

About 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide

2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide (PubChem CID 62520053) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
PubChem CID62520053
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C14H27N3O3/c1-3-10(2)11(16-13(15)20)12(19)17-14(9-18)7-5-4-6-8-14/h10-11,18H,3-9H2,1-2H3,(H,17,19)(H3,15,16,20)
InChIKeyDLKVCMQWXWGKCC-UHFFFAOYSA-N
XLogP0.88
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62520054
1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 43358918
1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclobutane-1-carboxylic acid
CID 81158683
2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid
CID 79846205
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-methylpentanamide
CID 104873451
1-[[[2-(carbamoylamino)-3-methylpentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445099
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62551130
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide
CID 62520222
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62551131
2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765494

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide (CID 62520053) is 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide?
The InChIKey is DLKVCMQWXWGKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-10(2)11(16-13(15)20)12(19)17-14(9-18)7-5-4-6-8-14/h10-11,18H,3-9H2,1-2H3,(H,17,19)(H3,15,16,20).
What are the key properties of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide?
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide has a molecular weight of 285.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide is sourced from PubChem (CID 62520053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).