3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C26H28FNO3 — CID 3536820

IUPAC3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28FNO3/c1-18(2)31-24-12-4-19(5-13-24)17-28-26(29)16-25(20-6-10-22(27)11-7-20)21-8-14-23(30-3)15-9-21/h4-15,18,25H,16-17H2,1-3H3,(H,28,29)
InChIKeyIXDJVYFGNNFCND-UHFFFAOYSA-N
MW421.51 g/mol
LogP5.46
Rot. Bonds9

About 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 3536820) has the molecular formula C26H28FNO3 and a molecular weight of 421.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID3536820
Molecular FormulaC26H28FNO3
Molecular Weight421.51 g/mol
Exact Mass421.21
IUPAC Name3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28FNO3/c1-18(2)31-24-12-4-19(5-13-24)17-28-26(29)16-25(20-6-10-22(27)11-7-20)21-8-14-23(30-3)15-9-21/h4-15,18,25H,16-17H2,1-3H3,(H,28,29)
InChIKeyIXDJVYFGNNFCND-UHFFFAOYSA-N
XLogP5.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.51
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide 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

3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134057816
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide
CID 41064795
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9133571
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 3697490
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 52758428
(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 40838358
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate
CID 2038667

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 3536820) is 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is COc1ccc(C(CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is IXDJVYFGNNFCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO3/c1-18(2)31-24-12-4-19(5-13-24)17-28-26(29)16-25(20-6-10-22(27)11-7-20)21-8-14-23(30-3)15-9-21/h4-15,18,25H,16-17H2,1-3H3,(H,28,29).
What are the key properties of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 421.51 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 3536820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).