N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide

C13H18N2O4 — CID 107261214

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
SMILESNC(=O)C(O)CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C13H18N2O4/c14-13(18)11(16)9-15-12(17)7-4-8-19-10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9H2,(H2,14,18)(H,15,17)
InChIKeyJAEJUTDAJTYLSM-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.19
Rot. Bonds8

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide (PubChem CID 107261214) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
PubChem CID107261214
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
SMILESNC(=O)C(O)CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C13H18N2O4/c14-13(18)11(16)9-15-12(17)7-4-8-19-10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9H2,(H2,14,18)(H,15,17)
InChIKeyJAEJUTDAJTYLSM-UHFFFAOYSA-N
XLogP-0.19
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
methyl 2-hydroxy-3-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 103957800
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
CID 103152721
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
CID 119528074

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide (CID 107261214) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide is NC(=O)C(O)CNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide?
The InChIKey is JAEJUTDAJTYLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-13(18)11(16)9-15-12(17)7-4-8-19-10-5-2-1-3-6-10/h1-3,5-6,11,16H,4,7-9H2,(H2,14,18)(H,15,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide has a molecular weight of 266.30 g/mol, XLogP of -0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide is sourced from PubChem (CID 107261214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).