(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide

C18H22N2O — CID 51925493

IUPAC(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@@H](C)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-13-7-9-16(10-8-13)12-19-18(21)15(3)20-17-6-4-5-14(2)11-17/h4-11,15,20H,12H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyUPQSBMUKIKWQTE-OAHLLOKOSA-N
MW282.39 g/mol
LogP3.42
Rot. Bonds5

About (2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide

(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 51925493) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID51925493
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@@H](C)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O/c1-13-7-9-16(10-8-13)12-19-18(21)15(3)20-17-6-4-5-14(2)11-17/h4-11,15,20H,12H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyUPQSBMUKIKWQTE-OAHLLOKOSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 35996003
(2S)-N-[(4-methylphenyl)methyl]-2-(3-nitroanilino)propanamide
CID 9274324
(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 94821156
N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248710
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 25360569
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide (CID 51925493) is (2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)[C@@H](C)Nc2cccc(C)c2)cc1.
What is the InChIKey of (2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is UPQSBMUKIKWQTE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-7-9-16(10-8-13)12-19-18(21)15(3)20-17-6-4-5-14(2)11-17/h4-11,15,20H,12H2,1-3H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide?
(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 51925493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).