N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide

C14H22N2O2 — CID 107941600

IUPACN-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(CN)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-8-18-11-14(17)16-13(10-15)9-12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3,(H,16,17)
InChIKeyFZJHIOCGUSBTGO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.10
Rot. Bonds8

About N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide

N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide (PubChem CID 107941600) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide
PubChem CID107941600
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC(CN)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-8-18-11-14(17)16-13(10-15)9-12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3,(H,16,17)
InChIKeyFZJHIOCGUSBTGO-UHFFFAOYSA-N
XLogP1.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide 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

N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212909
2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107863070
(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 104902054
(2S)-2-[(2-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119366667
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781042
(2R)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781041
N-(1-amino-3-phenylpropan-2-yl)-2-ethylhexanamide
CID 63755951
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315
2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82940849

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide (CID 107941600) is N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide is CCCOCC(=O)NC(CN)Cc1ccccc1.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide?
The InChIKey is FZJHIOCGUSBTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-8-18-11-14(17)16-13(10-15)9-12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3,(H,16,17).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide?
N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide is sourced from PubChem (CID 107941600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).