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

C32H41NO3 — CID 40838358

IUPAC(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CCNC(=O)C[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C32H41NO3/c1-22(2)30(25-11-15-28(35-6)16-12-25)19-20-33-32(34)21-31(26-9-7-24(5)8-10-26)27-13-17-29(18-14-27)36-23(3)4/h7-18,22-23,30-31H,19-21H2,1-6H3,(H,33,34)/t30-,31-/m0/s1
InChIKeyBSCKYWUJJUGJHT-CONSDPRKSA-N
MW487.68 g/mol
LogP7.26
Rot. Bonds12

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

(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 40838358) has the molecular formula C32H41NO3 and a molecular weight of 487.68 g/mol. Its IUPAC name is (3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID40838358
Molecular FormulaC32H41NO3
Molecular Weight487.68 g/mol
Exact Mass487.31
IUPAC Name(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CCNC(=O)C[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C32H41NO3/c1-22(2)30(25-11-15-28(35-6)16-12-25)19-20-33-32(34)21-31(26-9-7-24(5)8-10-26)27-13-17-29(18-14-27)36-23(3)4/h7-18,22-23,30-31H,19-21H2,1-6H3,(H,33,34)/t30-,31-/m0/s1
InChIKeyBSCKYWUJJUGJHT-CONSDPRKSA-N
XLogP7.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.68
LogP ≤ 57.26
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-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 3536820
(3R)-3-(4-fluorophenyl)-N-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-3-phenylpropanamide
CID 41064795
N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
CID 110355408
3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 3260933
3-[[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)pentanoyl]amino]propyl-dipropylazanium
CID 7619078
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344
N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide
CID 4256218
(3S)-N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-4-methyl-3-(4-propan-2-yloxyphenyl)pentanamide
CID 163074860
(3S)-3-(4-methoxyphenyl)-4-methylpentanoate
CID 7083022
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 72856052
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of (3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide (CID 40838358) is (3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for (3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for (3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide is COc1ccc([C@@H](CCNC(=O)C[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)C(C)C)cc1.
What is the InChIKey of (3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is BSCKYWUJJUGJHT-CONSDPRKSA-N. The full InChI is InChI=1S/C32H41NO3/c1-22(2)30(25-11-15-28(35-6)16-12-25)19-20-33-32(34)21-31(26-9-7-24(5)8-10-26)27-13-17-29(18-14-27)36-23(3)4/h7-18,22-23,30-31H,19-21H2,1-6H3,(H,33,34)/t30-,31-/m0/s1.
What are the key properties of (3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 487.68 g/mol, XLogP of 7.26, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 40838358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).