3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide

C19H24N2O2 — CID 119950399

IUPAC3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide
SMILESCc1cccc(OCC(C)NC(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-14-7-6-10-17(11-14)23-13-15(2)21-19(22)12-18(20)16-8-4-3-5-9-16/h3-11,15,18H,12-13,20H2,1-2H3,(H,21,22)
InChIKeyHQDVYRNQZDPPCH-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.97
Rot. Bonds7

About 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide

3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide (PubChem CID 119950399) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide
PubChem CID119950399
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide
SMILESCc1cccc(OCC(C)NC(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-14-7-6-10-17(11-14)23-13-15(2)21-19(22)12-18(20)16-8-4-3-5-9-16/h3-11,15,18H,12-13,20H2,1-2H3,(H,21,22)
InChIKeyHQDVYRNQZDPPCH-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide 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-amino-N-[1-(3-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 120667713
N-[1-(3-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfonylacetamide
CID 86828499
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
3-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461281
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119949182
4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 119300010
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
2-[[2-(3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 47017240
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide (CID 119950399) is 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide is Cc1cccc(OCC(C)NC(=O)CC(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide?
The InChIKey is HQDVYRNQZDPPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-7-6-10-17(11-14)23-13-15(2)21-19(22)12-18(20)16-8-4-3-5-9-16/h3-11,15,18H,12-13,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide?
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide has a molecular weight of 312.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 119950399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).