2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide

C19H23NO3 — CID 21368209

IUPAC2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H23NO3/c1-4-18(23-17-11-9-16(22-3)10-12-17)19(21)20-13-15-7-5-14(2)6-8-15/h5-12,18H,4,13H2,1-3H3,(H,20,21)
InChIKeyTYWCZKWCZUXZDQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.48
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide

2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 21368209) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID21368209
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H23NO3/c1-4-18(23-17-11-9-16(22-3)10-12-17)19(21)20-13-15-7-5-14(2)6-8-15/h5-12,18H,4,13H2,1-3H3,(H,20,21)
InChIKeyTYWCZKWCZUXZDQ-UHFFFAOYSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 132652045
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
(2S)-2-(4-methoxyphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015127

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide (CID 21368209) is 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide is CCC(Oc1ccc(OC)cc1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is TYWCZKWCZUXZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-18(23-17-11-9-16(22-3)10-12-17)19(21)20-13-15-7-5-14(2)6-8-15/h5-12,18H,4,13H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 21368209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).