2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide

C20H24N2O2 — CID 46485889

IUPAC2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14(2)20(24)21-17-11-9-15(3)18(13-17)22-19(23)12-10-16-7-5-4-6-8-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYBGGINUFBLAUKP-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.16
Rot. Bonds6

About 2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide

2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide (PubChem CID 46485889) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
PubChem CID46485889
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14(2)20(24)21-17-11-9-15(3)18(13-17)22-19(23)12-10-16-7-5-4-6-8-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYBGGINUFBLAUKP-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708058
2-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54839162
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108662
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 46475613
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 87029073
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
CID 55765150
4-bromo-N-[3-[2-methyl-5-(2-methylpropanoylamino)anilino]-3-oxopropyl]benzamide
CID 46485893
2-methyl-N-[4-methyl-3-[[2-[2-[(prop-2-enoylamino)methyl]phenyl]acetyl]amino]phenyl]propanamide
CID 166421802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide (CID 46485889) is 2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CCc1ccccc1.
What is the InChIKey of 2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide?
The InChIKey is YBGGINUFBLAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)20(24)21-17-11-9-15(3)18(13-17)22-19(23)12-10-16-7-5-4-6-8-16/h4-9,11,13-14H,10,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide?
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide has a molecular weight of 324.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 46485889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).