N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide

C17H20N2O — CID 28661897

IUPACN-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccccc2C)c1
InChIInChI=1S/C17H20N2O/c1-3-17(20)19-16-10-6-9-15(11-16)18-12-14-8-5-4-7-13(14)2/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyFNGLSLBXSQVPAH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.96
Rot. Bonds5

About N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide

N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide (PubChem CID 28661897) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
PubChem CID28661897
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2ccccc2C)c1
InChIInChI=1S/C17H20N2O/c1-3-17(20)19-16-10-6-9-15(11-16)18-12-14-8-5-4-7-13(14)2/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyFNGLSLBXSQVPAH-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-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
CID 60980258
N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
CID 28661961
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide
CID 28661893
N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide
CID 66473184
3-[(2-methylphenyl)methylamino]phenol
CID 28722272
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide?
The IUPAC name of N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide (CID 28661897) is N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NCc2ccccc2C)c1.
What is the InChIKey of N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide?
The InChIKey is FNGLSLBXSQVPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-17(20)19-16-10-6-9-15(11-16)18-12-14-8-5-4-7-13(14)2/h4-11,18H,3,12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide?
N-[3-[(2-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-[(2-methylphenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 28661897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).