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

C19H22N2O3 — CID 42427542

IUPAC(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-18(22)20-15-7-9-16(10-8-15)21-19(23)14(3)24-17-11-5-13(2)6-12-17/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/t14-/m1/s1
InChIKeyWRBPRWMBAQXIHO-CQSZACIVSA-N
MW326.40 g/mol
LogP3.75
Rot. Bonds6

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

(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide (PubChem CID 42427542) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
PubChem CID42427542
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-4-18(22)20-15-7-9-16(10-8-15)21-19(23)14(3)24-17-11-5-13(2)6-12-17/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/t14-/m1/s1
InChIKeyWRBPRWMBAQXIHO-CQSZACIVSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 26906168
(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide?
The IUPAC name of (2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide (CID 42427542) is (2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide?
The InChIKey is WRBPRWMBAQXIHO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-18(22)20-15-7-9-16(10-8-15)21-19(23)14(3)24-17-11-5-13(2)6-12-17/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide?
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 42427542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).