N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide

C18H22N2O — CID 60980258

IUPACN-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2cccc(C)c2C)c1
InChIInChI=1S/C18H22N2O/c1-4-18(21)20-17-10-6-9-16(11-17)19-12-15-8-5-7-13(2)14(15)3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyGOLSLTLLIMPURW-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.26
Rot. Bonds5

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

N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide (PubChem CID 60980258) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
PubChem CID60980258
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2cccc(C)c2C)c1
InChIInChI=1S/C18H22N2O/c1-4-18(21)20-17-10-6-9-16(11-17)19-12-15-8-5-7-13(2)14(15)3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyGOLSLTLLIMPURW-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
CID 28661961
N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide
CID 28661893
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390
N-[3-[(4-bromo-3-methylphenyl)methylamino]phenyl]propanamide
CID 66473184
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
CID 60981212
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
N-[3-[(2-hydroxyphenyl)methylamino]-4-methylphenyl]propanamide
CID 43677282
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide?
The IUPAC name of N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide (CID 60980258) is N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide?
The canonical SMILES for N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NCc2cccc(C)c2C)c1.
What is the InChIKey of N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide?
The InChIKey is GOLSLTLLIMPURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-18(21)20-17-10-6-9-16(11-17)19-12-15-8-5-7-13(2)14(15)3/h5-11,19H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide?
N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,3-dimethylphenyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 60980258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).