N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide

C34H36N2O4 — CID 4931464

IUPACN-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(-c3ccc(NC(=O)C(C)Oc4cccc(C)c4)c(C)c3)cc2C)c1
InChIInChI=1S/C34H36N2O4/c1-21-9-7-11-29(17-21)39-25(5)33(37)35-31-15-13-27(19-23(31)3)28-14-16-32(24(4)20-28)36-34(38)26(6)40-30-12-8-10-22(2)18-30/h7-20,25-26H,1-6H3,(H,35,37)(H,36,38)
InChIKeyVNLWAGJVLQMOJZ-UHFFFAOYSA-N
MW536.67 g/mol
LogP7.40
Rot. Bonds9

About N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide

N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide (PubChem CID 4931464) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide
PubChem CID4931464
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC NameN-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(-c3ccc(NC(=O)C(C)Oc4cccc(C)c4)c(C)c3)cc2C)c1
InChIInChI=1S/C34H36N2O4/c1-21-9-7-11-29(17-21)39-25(5)33(37)35-31-15-13-27(19-23(31)3)28-14-16-32(24(4)20-28)36-34(38)26(6)40-30-12-8-10-22(2)18-30/h7-20,25-26H,1-6H3,(H,35,37)(H,36,38)
InChIKeyVNLWAGJVLQMOJZ-UHFFFAOYSA-N
XLogP7.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95076832
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid
CID 17342101
(2R)-N-(2-hydroxy-3-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95788721
N-(2-hydroxyphenyl)-2-(3-methylphenoxy)propanamide
CID 18103927
2-(3-methylphenoxy)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 121024515

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide (CID 4931464) is N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc(-c3ccc(NC(=O)C(C)Oc4cccc(C)c4)c(C)c3)cc2C)c1.
What is the InChIKey of N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is VNLWAGJVLQMOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-21-9-7-11-29(17-21)39-25(5)33(37)35-31-15-13-27(19-23(31)3)28-14-16-32(24(4)20-28)36-34(38)26(6)40-30-12-8-10-22(2)18-30/h7-20,25-26H,1-6H3,(H,35,37)(H,36,38).
What are the key properties of N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide?
N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 536.67 g/mol, XLogP of 7.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 4931464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).