2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide

C15H23N3O3 — CID 63182493

IUPAC2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-10(2)8-12(18-15(16)21)14(20)17-13(9-19)11-6-4-3-5-7-11/h3-7,10,12-13,19H,8-9H2,1-2H3,(H,17,20)(H3,16,18,21)
InChIKeyYLBNMSXFUZWWFM-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.92
Rot. Bonds7

About 2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide

2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide (PubChem CID 63182493) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide
PubChem CID63182493
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C15H23N3O3/c1-10(2)8-12(18-15(16)21)14(20)17-13(9-19)11-6-4-3-5-7-11/h3-7,10,12-13,19H,8-9H2,1-2H3,(H,17,20)(H3,16,18,21)
InChIKeyYLBNMSXFUZWWFM-UHFFFAOYSA-N
XLogP0.92
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 107863311
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
CID 113498876
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
CID 60668454
(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 86755915

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide (CID 63182493) is 2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide is CC(C)CC(NC(N)=O)C(=O)NC(CO)c1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide?
The InChIKey is YLBNMSXFUZWWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)8-12(18-15(16)21)14(20)17-13(9-19)11-6-4-3-5-7-11/h3-7,10,12-13,19H,8-9H2,1-2H3,(H,17,20)(H3,16,18,21).
What are the key properties of 2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide?
2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide has a molecular weight of 293.37 g/mol, XLogP of 0.92, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylpentanamide is sourced from PubChem (CID 63182493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).