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

C23H23NO3 — CID 7925185

IUPAC(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C23H23NO3/c1-16-7-11-20(12-8-16)27-21-13-9-19(10-14-21)24-23(25)18(3)26-22-6-4-5-17(2)15-22/h4-15,18H,1-3H3,(H,24,25)/t18-/m0/s1
InChIKeyBWMSNIPVIKBOPK-SFHVURJKSA-N
MW361.44 g/mol
LogP5.50
Rot. Bonds6

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

(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide (PubChem CID 7925185) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
PubChem CID7925185
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C23H23NO3/c1-16-7-11-20(12-8-16)27-21-13-9-19(10-14-21)24-23(25)18(3)26-22-6-4-5-17(2)15-22/h4-15,18H,1-3H3,(H,24,25)/t18-/m0/s1
InChIKeyBWMSNIPVIKBOPK-SFHVURJKSA-N
XLogP5.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
(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
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
2-methoxy-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 75835932
2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
CID 4945102
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 8698425

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide (CID 7925185) is (2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide is Cc1ccc(Oc2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)cc1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide?
The InChIKey is BWMSNIPVIKBOPK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23NO3/c1-16-7-11-20(12-8-16)27-21-13-9-19(10-14-21)24-23(25)18(3)26-22-6-4-5-17(2)15-22/h4-15,18H,1-3H3,(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide?
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide has a molecular weight of 361.44 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide is sourced from PubChem (CID 7925185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).