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

C26H29NO3 — CID 3697490

IUPACN-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC(c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C26H29NO3/c1-18(2)30-24-13-9-21(10-14-24)25(20-7-5-19(3)6-8-20)17-26(28)27-22-11-15-23(29-4)16-12-22/h5-16,18,25H,17H2,1-4H3,(H,27,28)
InChIKeyKTMCXBDPKPKSCG-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.95
Rot. Bonds8

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

N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 3697490) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID3697490
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC NameN-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC(c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C26H29NO3/c1-18(2)30-24-13-9-21(10-14-24)25(20-7-5-19(3)6-8-20)17-26(28)27-22-11-15-23(29-4)16-12-22/h5-16,18,25H,17H2,1-4H3,(H,27,28)
InChIKeyKTMCXBDPKPKSCG-UHFFFAOYSA-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

(3S)-N-[(3S)-3-(4-methoxyphenyl)-4-methylpentyl]-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 40838358
3-(4-methylphenyl)-N-naphthalen-1-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 3260933
(3S)-3-(2-methoxyphenyl)-N-(3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 7618737
(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709170
3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 2902940
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 3536820
(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740869
N-(4-methylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55826239
(3R)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740870

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide (CID 3697490) is N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide is COc1ccc(NC(=O)CC(c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is KTMCXBDPKPKSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-18(2)30-24-13-9-21(10-14-24)25(20-7-5-19(3)6-8-20)17-26(28)27-22-11-15-23(29-4)16-12-22/h5-16,18,25H,17H2,1-4H3,(H,27,28).
What are the key properties of N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
N-(4-methoxyphenyl)-3-(4-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 N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 3697490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).