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

C22H28N2O2 — CID 54782349

IUPAC2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-5-21(25)23-19-7-6-8-20(14-19)24-22(26)16(4)18-11-9-17(10-12-18)13-15(2)3/h6-12,14-16H,5,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVXDGADMXRMMMJY-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.98
Rot. Bonds7

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

2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide (PubChem CID 54782349) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
PubChem CID54782349
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-5-21(25)23-19-7-6-8-20(14-19)24-22(26)16(4)18-11-9-17(10-12-18)13-15(2)3/h6-12,14-16H,5,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVXDGADMXRMMMJY-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-N-[[3-(propanoylamino)phenyl]carbamothioyl]propanamide
CID 54782396
N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116
N-[4-methyl-3-(propanoylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782347
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54781971
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(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-benzyl-3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
CID 54782283
(2R)-N-(3,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 102377979

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide (CID 54782349) is 2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide?
The InChIKey is VXDGADMXRMMMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-21(25)23-19-7-6-8-20(14-19)24-22(26)16(4)18-11-9-17(10-12-18)13-15(2)3/h6-12,14-16H,5,13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide?
2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide has a molecular weight of 352.48 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-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 54782349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).