3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide

C20H24N2O2 — CID 113123753

IUPAC3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C20H24N2O2/c1-15-8-7-11-19(14-15)22(17(3)23)13-12-20(24)21-16(2)18-9-5-4-6-10-18/h4-11,14,16H,12-13H2,1-3H3,(H,21,24)
InChIKeyNILKQIAAQQKTGD-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.62
Rot. Bonds6

About 3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide

3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide (PubChem CID 113123753) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide
PubChem CID113123753
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NC(C)c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C20H24N2O2/c1-15-8-7-11-19(14-15)22(17(3)23)13-12-20(24)21-16(2)18-9-5-4-6-10-18/h4-11,14,16H,12-13H2,1-3H3,(H,21,24)
InChIKeyNILKQIAAQQKTGD-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide
CID 113134859
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide
CID 113129840
4-(3-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172594
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
4-[[(1R)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 81363109
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
CID 113118397
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
CID 113123336
3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113123836

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide (CID 113123753) is 3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide is CC(=O)N(CCC(=O)NC(C)c1ccccc1)c1cccc(C)c1.
What is the InChIKey of 3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide?
The InChIKey is NILKQIAAQQKTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-7-11-19(14-15)22(17(3)23)13-12-20(24)21-16(2)18-9-5-4-6-10-18/h4-11,14,16H,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide?
3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide has a molecular weight of 324.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methylanilino)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 113123753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).