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

C13H25N3O3 — CID 62520054

IUPAC2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H25N3O3/c1-9(2)10(15-12(14)19)11(18)16-13(8-17)6-4-3-5-7-13/h9-10,17H,3-8H2,1-2H3,(H,16,18)(H3,14,15,19)
InChIKeySFYMFSBSEZJYET-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.49
Rot. Bonds5

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

2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide (PubChem CID 62520054) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
PubChem CID62520054
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H25N3O3/c1-9(2)10(15-12(14)19)11(18)16-13(8-17)6-4-3-5-7-13/h9-10,17H,3-8H2,1-2H3,(H,16,18)(H3,14,15,19)
InChIKeySFYMFSBSEZJYET-UHFFFAOYSA-N
XLogP0.49
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 62520053
2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid
CID 79846205
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62551131
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
(2S)-2-amino-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbutanamide
CID 104873901
methyl N-[1-[(1-ethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130457120
4-[[1-(hydroxymethyl)cyclopentyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498282
2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871
1-[[2-(carbamoylamino)-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 43358918
3-amino-N-[1-(hydroxymethyl)cyclohexyl]butanamide
CID 62552043

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide (CID 62520054) is 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide is CC(C)C(NC(N)=O)C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
The InChIKey is SFYMFSBSEZJYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)10(15-12(14)19)11(18)16-13(8-17)6-4-3-5-7-13/h9-10,17H,3-8H2,1-2H3,(H,16,18)(H3,14,15,19).
What are the key properties of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide?
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide has a molecular weight of 271.36 g/mol, XLogP of 0.49, 5 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-methylbutanamide is sourced from PubChem (CID 62520054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).