N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide

C23H31N3O2 — CID 9125001

IUPACN-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CN(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C23H31N3O2/c1-5-14-26(16-20-8-6-18(2)7-9-20)22(27)17-25(4)15-19-10-12-21(13-11-19)23(28)24-3/h6-13H,5,14-17H2,1-4H3,(H,24,28)
InChIKeyRHPATGBBCGWHOA-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.23
Rot. Bonds9

About N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide (PubChem CID 9125001) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide
PubChem CID9125001
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CN(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C23H31N3O2/c1-5-14-26(16-20-8-6-18(2)7-9-20)22(27)17-25(4)15-19-10-12-21(13-11-19)23(28)24-3/h6-13H,5,14-17H2,1-4H3,(H,24,28)
InChIKeyRHPATGBBCGWHOA-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide (CID 9125001) is N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide is CCCN(Cc1ccc(C)cc1)C(=O)CN(C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is RHPATGBBCGWHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-14-26(16-20-8-6-18(2)7-9-20)22(27)17-25(4)15-19-10-12-21(13-11-19)23(28)24-3/h6-13H,5,14-17H2,1-4H3,(H,24,28).
What are the key properties of N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 9125001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).