2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide

C22H21NO3 — CID 3937440

IUPAC2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H21NO3/c1-16-7-6-10-21(15-16)25-17(2)22(24)23-18-11-13-20(14-12-18)26-19-8-4-3-5-9-19/h3-15,17H,1-2H3,(H,23,24)
InChIKeySFYDTBZIKFEEQV-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.19
Rot. Bonds6

About 2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide

2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide (PubChem CID 3937440) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
PubChem CID3937440
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H21NO3/c1-16-7-6-10-21(15-16)25-17(2)22(24)23-18-11-13-20(14-12-18)26-19-8-4-3-5-9-19/h3-15,17H,1-2H3,(H,23,24)
InChIKeySFYDTBZIKFEEQV-UHFFFAOYSA-N
XLogP5.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 8698425
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide (CID 3937440) is 2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is SFYDTBZIKFEEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-16-7-6-10-21(15-16)25-17(2)22(24)23-18-11-13-20(14-12-18)26-19-8-4-3-5-9-19/h3-15,17H,1-2H3,(H,23,24).
What are the key properties of 2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide?
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 347.41 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 3937440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).