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

C23H30N2O2 — CID 54782347

IUPACN-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)C(C)c2ccc(CC(C)C)cc2)ccc1C
InChIInChI=1S/C23H30N2O2/c1-6-22(26)25-21-14-20(12-7-16(21)4)24-23(27)17(5)19-10-8-18(9-11-19)13-15(2)3/h7-12,14-15,17H,6,13H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyCADQCOJDJWGMEP-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.28
Rot. Bonds7

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

N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 54782347) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID54782347
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)C(C)c2ccc(CC(C)C)cc2)ccc1C
InChIInChI=1S/C23H30N2O2/c1-6-22(26)25-21-14-20(12-7-16(21)4)24-23(27)17(5)19-10-8-18(9-11-19)13-15(2)3/h7-12,14-15,17H,6,13H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyCADQCOJDJWGMEP-UHFFFAOYSA-N
XLogP5.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
CID 54782349
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452
N-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 54782347) is N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CCC(=O)Nc1cc(NC(=O)C(C)c2ccc(CC(C)C)cc2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is CADQCOJDJWGMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-6-22(26)25-21-14-20(12-7-16(21)4)24-23(27)17(5)19-10-8-18(9-11-19)13-15(2)3/h7-12,14-15,17H,6,13H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 366.51 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 54782347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).