3-anilino-N-[(4-methylphenyl)methyl]propanamide

C17H20N2O — CID 109019803

IUPAC3-anilino-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-14-7-9-15(10-8-14)13-19-17(20)11-12-18-16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H,19,20)
InChIKeyLKBIZTLFXFXAKW-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.11
Rot. Bonds6

About 3-anilino-N-[(4-methylphenyl)methyl]propanamide

3-anilino-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 109019803) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-anilino-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-anilino-N-[(4-methylphenyl)methyl]propanamide
PubChem CID109019803
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-anilino-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-14-7-9-15(10-8-14)13-19-17(20)11-12-18-16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H,19,20)
InChIKeyLKBIZTLFXFXAKW-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019825
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
methyl 4-[(3-anilinopropanoylamino)methyl]benzoate
CID 37251734
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-methylphenyl)methyl]-3-(2-nitroanilino)propanamide
CID 16797640
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
N-benzyl-3-(3,5-dichloroanilino)propanamide
CID 109018893

Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-anilino-N-[(4-methylphenyl)methyl]propanamide (CID 109019803) is 3-anilino-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-anilino-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-anilino-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCNc2ccccc2)cc1.
What is the InChIKey of 3-anilino-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is LKBIZTLFXFXAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14-7-9-15(10-8-14)13-19-17(20)11-12-18-16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H,19,20).
What are the key properties of 3-anilino-N-[(4-methylphenyl)methyl]propanamide?
3-anilino-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).