3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide

C23H30N2O3 — CID 119950588

IUPAC3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
SMILESCCOc1ccc(C2(CNC(=O)CC(N)c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-28-20-10-8-19(9-11-20)23(12-14-27-15-13-23)17-25-22(26)16-21(24)18-6-4-3-5-7-18/h3-11,21H,2,12-17,24H2,1H3,(H,25,26)
InChIKeyHCDPLYYRVBKGSG-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.34
Rot. Bonds8

About 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide

3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide (PubChem CID 119950588) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
PubChem CID119950588
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
SMILESCCOc1ccc(C2(CNC(=O)CC(N)c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-28-20-10-8-19(9-11-20)23(12-14-27-15-13-23)17-25-22(26)16-21(24)18-6-4-3-5-7-18/h3-11,21H,2,12-17,24H2,1H3,(H,25,26)
InChIKeyHCDPLYYRVBKGSG-UHFFFAOYSA-N
XLogP3.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-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

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56581468
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
2-(cyclopropylmethylamino)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119749575
3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
CID 119951110
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119950889
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide
CID 51092225
3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573347
5-[[4-(4-ethoxyphenyl)oxan-4-yl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685263
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-phenylbutanamide
CID 110621403

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide (CID 119950588) is 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide is CCOc1ccc(C2(CNC(=O)CC(N)c3ccccc3)CCOCC2)cc1.
What is the InChIKey of 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
The InChIKey is HCDPLYYRVBKGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-2-28-20-10-8-19(9-11-20)23(12-14-27-15-13-23)17-25-22(26)16-21(24)18-6-4-3-5-7-18/h3-11,21H,2,12-17,24H2,1H3,(H,25,26).
What are the key properties of 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 119950588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).