2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide

C20H26N2O — CID 112982147

IUPAC2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-4-17(5-2)20(23)22-19-12-10-18(11-13-19)21-14-16-8-6-15(3)7-9-16/h6-13,17,21H,4-5,14H2,1-3H3,(H,22,23)
InChIKeyHPACDBTXSZTRMU-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.98
Rot. Bonds7

About 2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide

2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide (PubChem CID 112982147) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide
PubChem CID112982147
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-4-17(5-2)20(23)22-19-12-10-18(11-13-19)21-14-16-8-6-15(3)7-9-16/h6-13,17,21H,4-5,14H2,1-3H3,(H,22,23)
InChIKeyHPACDBTXSZTRMU-UHFFFAOYSA-N
XLogP4.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide
CID 112982626
2-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982178
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
N-[4-[(4-bromophenyl)methylamino]phenyl]-2-methylpropanamide
CID 43230530
2-[4-[(4-methylanilino)methyl]phenyl]propanoic acid
CID 103234862
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide
CID 82259471

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide (CID 112982147) is 2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(NCc2ccc(C)cc2)cc1.
What is the InChIKey of 2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide?
The InChIKey is HPACDBTXSZTRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-17(5-2)20(23)22-19-12-10-18(11-13-19)21-14-16-8-6-15(3)7-9-16/h6-13,17,21H,4-5,14H2,1-3H3,(H,22,23).
What are the key properties of 2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide?
2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide has a molecular weight of 310.44 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]butanamide is sourced from PubChem (CID 112982147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).