N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide

C17H20N2O — CID 28661898

IUPACN-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccc(C)cc2)c1
InChIInChI=1S/C17H20N2O/c1-3-17(20)19-16-6-4-5-15(11-16)18-12-14-9-7-13(2)8-10-14/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyZGSIJYPVVADBNO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.96
Rot. Bonds5

About N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide

N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide (PubChem CID 28661898) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
PubChem CID28661898
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccc(C)cc2)c1
InChIInChI=1S/C17H20N2O/c1-3-17(20)19-16-6-4-5-15(11-16)18-12-14-9-7-13(2)8-10-14/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyZGSIJYPVVADBNO-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide
CID 66473184
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[3-[(3-methoxyphenyl)methylamino]phenyl]propanamide
CID 28661894
N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
CID 60980258
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
N-[3-(methoxyamino)phenyl]propanamide;toluene
CID 163567770
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
CID 28661961

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide?
The IUPAC name of N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide (CID 28661898) is N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NCc2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide?
The InChIKey is ZGSIJYPVVADBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-17(20)19-16-6-4-5-15(11-16)18-12-14-9-7-13(2)8-10-14/h4-11,18H,3,12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide?
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 28661898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).