2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide

C12H25N3O3 — CID 107318472

IUPAC2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCCCCCO
InChIInChI=1S/C12H25N3O3/c1-3-9(2)10(15-12(13)18)11(17)14-7-5-4-6-8-16/h9-10,16H,3-8H2,1-2H3,(H,14,17)(H3,13,15,18)
InChIKeyYIYLRYMIKDBTFS-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.35
Rot. Bonds9

About 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide

2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide (PubChem CID 107318472) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide
PubChem CID107318472
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)NCCCCCO
InChIInChI=1S/C12H25N3O3/c1-3-9(2)10(15-12(13)18)11(17)14-7-5-4-6-8-16/h9-10,16H,3-8H2,1-2H3,(H,14,17)(H3,13,15,18)
InChIKeyYIYLRYMIKDBTFS-UHFFFAOYSA-N
XLogP0.35
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[2-(carbamoylamino)-3-methylpentanoyl]amino]hexanoic acid
CID 43352951
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
2-(carbamoylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103800836
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide
CID 115613559
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 83029431
3-methyl-2-(pentanoylamino)-N-tricosylpentanamide
CID 88904969
4-[[(2S)-1-[6-[[(2S)-2-(3-carboxypropanoylamino)-3-methylpentanoyl]amino]hexylamino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 89427866
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
(2S)-2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 114004858
12-hydroxydodecylurea
CID 57265418

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide (CID 107318472) is 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide is CCC(C)C(NC(N)=O)C(=O)NCCCCCO.
What is the InChIKey of 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide?
The InChIKey is YIYLRYMIKDBTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-3-9(2)10(15-12(13)18)11(17)14-7-5-4-6-8-16/h9-10,16H,3-8H2,1-2H3,(H,14,17)(H3,13,15,18).
What are the key properties of 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide?
2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide has a molecular weight of 259.35 g/mol, XLogP of 0.35, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide is sourced from PubChem (CID 107318472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).