3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide

C23H30N2O2 — CID 55765150

IUPAC3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1cc(NC(=O)C(C)C)ccc1C)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-6-16(4)21(18-10-8-7-9-11-18)23(27)25-20-14-19(13-12-17(20)5)24-22(26)15(2)3/h7-16,21H,6H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyDPAKMYJXBXJQQD-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.36
Rot. Bonds7

About 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide

3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide (PubChem CID 55765150) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
PubChem CID55765150
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1cc(NC(=O)C(C)C)ccc1C)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-6-16(4)21(18-10-8-7-9-11-18)23(27)25-20-14-19(13-12-17(20)5)24-22(26)15(2)3/h7-16,21H,6H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyDPAKMYJXBXJQQD-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8714216
(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
CID 95310454
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184
2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide
CID 47063867

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide?
The IUPAC name of 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide (CID 55765150) is 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide?
The canonical SMILES for 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide is CCC(C)C(C(=O)Nc1cc(NC(=O)C(C)C)ccc1C)c1ccccc1.
What is the InChIKey of 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide?
The InChIKey is DPAKMYJXBXJQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-6-16(4)21(18-10-8-7-9-11-18)23(27)25-20-14-19(13-12-17(20)5)24-22(26)15(2)3/h7-16,21H,6H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide?
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide has a molecular weight of 366.51 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide is sourced from PubChem (CID 55765150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).