2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide

C13H25N3O3 — CID 62365972

IUPAC2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NC1CCCCC1O
InChIInChI=1S/C13H25N3O3/c1-8(2)7-10(16-13(14)19)12(18)15-9-5-3-4-6-11(9)17/h8-11,17H,3-7H2,1-2H3,(H,15,18)(H3,14,16,19)
InChIKeyHTFULGZATVKOHU-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.49
Rot. Bonds5

About 2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide

2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide (PubChem CID 62365972) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide
PubChem CID62365972
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NC1CCCCC1O
InChIInChI=1S/C13H25N3O3/c1-8(2)7-10(16-13(14)19)12(18)15-9-5-3-4-6-11(9)17/h8-11,17H,3-7H2,1-2H3,(H,15,18)(H3,14,16,19)
InChIKeyHTFULGZATVKOHU-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-[(1R,2R)-2-hydroxycyclohexyl]-3-methylbutanamide
CID 104931679
2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 62360744
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
2-(carbamoylamino)-N-cyclopentyloxy-4-methylpentanamide
CID 83202418
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 107222022
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide
CID 113394748
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide
CID 107221602
benzyl N-[(2S)-1-[[(1S,3S)-2-hydroxy-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]cyclopentyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10793827

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide (CID 62365972) is 2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide is CC(C)CC(NC(N)=O)C(=O)NC1CCCCC1O.
What is the InChIKey of 2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide?
The InChIKey is HTFULGZATVKOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-8(2)7-10(16-13(14)19)12(18)15-9-5-3-4-6-11(9)17/h8-11,17H,3-7H2,1-2H3,(H,15,18)(H3,14,16,19).
What are the key properties of 2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide?
2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide 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-(2-hydroxycyclohexyl)-4-methylpentanamide is sourced from PubChem (CID 62365972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).