N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide

C18H22N2O — CID 43677310

IUPACN-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-4-18(21)20-16-11-10-13(2)17(12-16)19-14(3)15-8-6-5-7-9-15/h5-12,14,19H,4H2,1-3H3,(H,20,21)
InChIKeyZZSSTEHTAIHPJR-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.52
Rot. Bonds5

About N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide

N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide (PubChem CID 43677310) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
PubChem CID43677310
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-4-18(21)20-16-11-10-13(2)17(12-16)19-14(3)15-8-6-5-7-9-15/h5-12,14,19H,4H2,1-3H3,(H,20,21)
InChIKeyZZSSTEHTAIHPJR-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide
CID 43677311
N-[4-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]propanamide
CID 43677299
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
CID 43677288
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894112
N-[4-methyl-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43789836
3-benzamido-4-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46432967
N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684031
N-[4-methyl-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894113
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide (CID 43677310) is N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(C)c2ccccc2)c1.
What is the InChIKey of N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide?
The InChIKey is ZZSSTEHTAIHPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-18(21)20-16-11-10-13(2)17(12-16)19-14(3)15-8-6-5-7-9-15/h5-12,14,19H,4H2,1-3H3,(H,20,21).
What are the key properties of N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide?
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide is sourced from PubChem (CID 43677310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).