2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide

C13H19N3O3 — CID 106842975

IUPAC2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
SMILESNC(=O)NC(C(=O)NCCCCO)c1ccccc1
InChIInChI=1S/C13H19N3O3/c14-13(19)16-11(10-6-2-1-3-7-10)12(18)15-8-4-5-9-17/h1-3,6-7,11,17H,4-5,8-9H2,(H,15,18)(H3,14,16,19)
InChIKeyAXLKKVGXUQZEPR-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.28
Rot. Bonds7

About 2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide

2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide (PubChem CID 106842975) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
PubChem CID106842975
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
SMILESNC(=O)NC(C(=O)NCCCCO)c1ccccc1
InChIInChI=1S/C13H19N3O3/c14-13(19)16-11(10-6-2-1-3-7-10)12(18)15-8-4-5-9-17/h1-3,6-7,11,17H,4-5,8-9H2,(H,15,18)(H3,14,16,19)
InChIKeyAXLKKVGXUQZEPR-UHFFFAOYSA-N
XLogP0.28
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.28
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-(4-hydroxybutyl)-2-phenylacetamide 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

2-(carbamoylamino)-2-phenyl-N-propylacetamide
CID 60723613
2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
CID 65031979
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxypropanamide
CID 106165291
2-(carbamoylamino)-N-[(2R)-2-hydroxypropyl]-2-phenylacetamide
CID 83031308
2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 83030049
3-[[2-(carbamoylamino)-2-phenylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174600
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide
CID 115776830
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 43500841
2-(carbamoylamino)-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62521560
2-(carbamoylamino)-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 82723266

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide?
The IUPAC name of 2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide (CID 106842975) is 2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide?
The canonical SMILES for 2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide is NC(=O)NC(C(=O)NCCCCO)c1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide?
The InChIKey is AXLKKVGXUQZEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-13(19)16-11(10-6-2-1-3-7-10)12(18)15-8-4-5-9-17/h1-3,6-7,11,17H,4-5,8-9H2,(H,15,18)(H3,14,16,19).
What are the key properties of 2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide?
2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide has a molecular weight of 265.31 g/mol, XLogP of 0.28, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide is sourced from PubChem (CID 106842975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).