N-benzyl-3-(4-methylanilino)propanamide

C17H20N2O — CID 109018805

IUPACN-benzyl-3-(4-methylanilino)propanamide
SMILESCc1ccc(NCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-14-7-9-16(10-8-14)18-12-11-17(20)19-13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,19,20)
InChIKeyZGLJDZMDFYUURI-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.11
Rot. Bonds6

About N-benzyl-3-(4-methylanilino)propanamide

N-benzyl-3-(4-methylanilino)propanamide (PubChem CID 109018805) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-benzyl-3-(4-methylanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methylanilino)propanamide
PubChem CID109018805
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-benzyl-3-(4-methylanilino)propanamide
SMILESCc1ccc(NCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-14-7-9-16(10-8-14)18-12-11-17(20)19-13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,19,20)
InChIKeyZGLJDZMDFYUURI-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

3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019825
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
N-benzyl-3-(3,5-dichloroanilino)propanamide
CID 109018893
methyl 4-[(3-anilinopropanoylamino)methyl]benzoate
CID 37251734
N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
CID 109019488
N-benzyl-4,4-dimethylpentanamide
CID 59836653

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methylanilino)propanamide?
The IUPAC name of N-benzyl-3-(4-methylanilino)propanamide (CID 109018805) is N-benzyl-3-(4-methylanilino)propanamide.
What is the SMILES notation for N-benzyl-3-(4-methylanilino)propanamide?
The canonical SMILES for N-benzyl-3-(4-methylanilino)propanamide is Cc1ccc(NCCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-(4-methylanilino)propanamide?
The InChIKey is ZGLJDZMDFYUURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14-7-9-16(10-8-14)18-12-11-17(20)19-13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,19,20).
What are the key properties of N-benzyl-3-(4-methylanilino)propanamide?
N-benzyl-3-(4-methylanilino)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 N-benzyl-3-(4-methylanilino)propanamide is sourced from PubChem (CID 109018805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).