4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide

C23H30N2O2 — CID 55710345

IUPAC4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C(=O)N(C)CCCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C23H30N2O2/c1-17(2)21(24-22(26)20-14-12-18(3)13-15-20)23(27)25(4)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,17,21H,8,11,16H2,1-4H3,(H,24,26)
InChIKeyIGCPSYGNMTYIMZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.84
Rot. Bonds8

About 4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide

4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 55710345) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID55710345
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C(=O)N(C)CCCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C23H30N2O2/c1-17(2)21(24-22(26)20-14-12-18(3)13-15-20)23(27)25(4)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,17,21H,8,11,16H2,1-4H3,(H,24,26)
InChIKeyIGCPSYGNMTYIMZ-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide (CID 55710345) is 4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide is Cc1ccc(C(=O)NC(C(=O)N(C)CCCc2ccccc2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is IGCPSYGNMTYIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(2)21(24-22(26)20-14-12-18(3)13-15-20)23(27)25(4)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,17,21H,8,11,16H2,1-4H3,(H,24,26).
What are the key properties of 4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide?
4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55710345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).