(3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide

C26H29NO3 — CID 7618737

IUPAC(3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccccc1[C@@H](CC(=O)Nc1cccc(C)c1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H29NO3/c1-18(2)30-22-14-12-20(13-15-22)24(23-10-5-6-11-25(23)29-4)17-26(28)27-21-9-7-8-19(3)16-21/h5-16,18,24H,17H2,1-4H3,(H,27,28)/t24-/m0/s1
InChIKeyVBXCVPQFJSOVGI-DEOSSOPVSA-N
MW403.52 g/mol
LogP5.95
Rot. Bonds8

About (3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide

(3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 7618737) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is (3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID7618737
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name(3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccccc1[C@@H](CC(=O)Nc1cccc(C)c1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H29NO3/c1-18(2)30-22-14-12-20(13-15-22)24(23-10-5-6-11-25(23)29-4)17-26(28)27-21-9-7-8-19(3)16-21/h5-16,18,24H,17H2,1-4H3,(H,27,28)/t24-/m0/s1
InChIKeyVBXCVPQFJSOVGI-DEOSSOPVSA-N
XLogP5.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 3697490
3-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 2910619
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide
CID 41064795
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955570
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 3260933
3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 2902940
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of (3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide (CID 7618737) is (3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for (3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide is COc1ccccc1[C@@H](CC(=O)Nc1cccc(C)c1)c1ccc(OC(C)C)cc1.
What is the InChIKey of (3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is VBXCVPQFJSOVGI-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29NO3/c1-18(2)30-22-14-12-20(13-15-22)24(23-10-5-6-11-25(23)29-4)17-26(28)27-21-9-7-8-19(3)16-21/h5-16,18,24H,17H2,1-4H3,(H,27,28)/t24-/m0/s1.
What are the key properties of (3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
(3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 403.52 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 7618737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).