3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide

C20H32N2O2 — CID 86901347

IUPAC3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C20H32N2O2/c1-13(2)12-21-19(24)16-8-9-17(14(3)10-16)22-18(23)11-15(4)20(5,6)7/h8-10,13,15H,11-12H2,1-7H3,(H,21,24)(H,22,23)
InChIKeyJBEOUCRXTQXHPS-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.39
Rot. Bonds6

About 3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide

3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide (PubChem CID 86901347) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
PubChem CID86901347
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C20H32N2O2/c1-13(2)12-21-19(24)16-8-9-17(14(3)10-16)22-18(23)11-15(4)20(5,6)7/h8-10,13,15H,11-12H2,1-7H3,(H,21,24)(H,22,23)
InChIKeyJBEOUCRXTQXHPS-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119630091
3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide
CID 119503824
3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
CID 83145027
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
4-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834626
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49433503
3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide
CID 56510951
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
4-[2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168800
3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 49340244
N-(3-aminopropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119408504

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide (CID 86901347) is 3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)CC(C)C(C)(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide?
The InChIKey is JBEOUCRXTQXHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-13(2)12-21-19(24)16-8-9-17(14(3)10-16)22-18(23)11-15(4)20(5,6)7/h8-10,13,15H,11-12H2,1-7H3,(H,21,24)(H,22,23).
What are the key properties of 3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide?
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide has a molecular weight of 332.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide is sourced from PubChem (CID 86901347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).