2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide

C25H27NO2 — CID 43916230

IUPAC2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C25H27NO2/c1-4-23(28-22-12-8-9-19(3)17-22)25(27)26-24(20-10-6-5-7-11-20)21-15-13-18(2)14-16-21/h5-17,23-24H,4H2,1-3H3,(H,26,27)
InChIKeyRYUPMYMXABVYQW-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.37
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide

2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide (PubChem CID 43916230) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
PubChem CID43916230
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C25H27NO2/c1-4-23(28-22-12-8-9-19(3)17-22)25(27)26-24(20-10-6-5-7-11-20)21-15-13-18(2)14-16-21/h5-17,23-24H,4H2,1-3H3,(H,26,27)
InChIKeyRYUPMYMXABVYQW-UHFFFAOYSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 7366385
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959
2-(3-methylphenoxy)butanoic acid
CID 4778922

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide (CID 43916230) is 2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide is CCC(Oc1cccc(C)c1)C(=O)NC(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide?
The InChIKey is RYUPMYMXABVYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-4-23(28-22-12-8-9-19(3)17-22)25(27)26-24(20-10-6-5-7-11-20)21-15-13-18(2)14-16-21/h5-17,23-24H,4H2,1-3H3,(H,26,27).
What are the key properties of 2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide?
2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide has a molecular weight of 373.50 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide is sourced from PubChem (CID 43916230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).