3-benzamido-4-methyl-N,N-dipropylbenzamide

C21H26N2O2 — CID 17226384

IUPAC3-benzamido-4-methyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-4-13-23(14-5-2)21(25)18-12-11-16(3)19(15-18)22-20(24)17-9-7-6-8-10-17/h6-12,15H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyYYEWILTVERLFEB-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.51
Rot. Bonds7

About 3-benzamido-4-methyl-N,N-dipropylbenzamide

3-benzamido-4-methyl-N,N-dipropylbenzamide (PubChem CID 17226384) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N,N-dipropylbenzamide
PubChem CID17226384
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-benzamido-4-methyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-4-13-23(14-5-2)21(25)18-12-11-16(3)19(15-18)22-20(24)17-9-7-6-8-10-17/h6-12,15H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyYYEWILTVERLFEB-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-N-(cyanomethyl)-4-methyl-N-propylbenzamide
CID 52729740
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
CID 46410054
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114
3-benzamido-N-cyclopentyl-N-ethyl-4-methylbenzamide
CID 55632308
3-benzamido-N,4-dimethylbenzamide
CID 17226324
1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119422209
3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N,N-dipropylbenzamide?
The IUPAC name of 3-benzamido-4-methyl-N,N-dipropylbenzamide (CID 17226384) is 3-benzamido-4-methyl-N,N-dipropylbenzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N,N-dipropylbenzamide?
The canonical SMILES for 3-benzamido-4-methyl-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-4-methyl-N,N-dipropylbenzamide?
The InChIKey is YYEWILTVERLFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-13-23(14-5-2)21(25)18-12-11-16(3)19(15-18)22-20(24)17-9-7-6-8-10-17/h6-12,15H,4-5,13-14H2,1-3H3,(H,22,24).
What are the key properties of 3-benzamido-4-methyl-N,N-dipropylbenzamide?
3-benzamido-4-methyl-N,N-dipropylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N,N-dipropylbenzamide is sourced from PubChem (CID 17226384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).