N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide

C21H26N2O3 — CID 131938422

IUPACN-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)CC(C)C
InChIInChI=1S/C21H26N2O3/c1-13(2)10-20(24)23-18-9-7-16(12-19(18)26-5)22-21(25)17-8-6-14(3)11-15(17)4/h6-9,11-13H,10H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyNNGNNSXTZJXHGE-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.55
Rot. Bonds6

About N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide

N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide (PubChem CID 131938422) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide
PubChem CID131938422
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)CC(C)C
InChIInChI=1S/C21H26N2O3/c1-13(2)10-20(24)23-18-9-7-16(12-19(18)26-5)22-21(25)17-8-6-14(3)11-15(17)4/h6-9,11-13H,10H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyNNGNNSXTZJXHGE-UHFFFAOYSA-N
XLogP4.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 131890754
3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide
CID 131905829
3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide
CID 953068
5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62966442
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269
N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
CID 953258
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
CID 4028729
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 131900789
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide (CID 131938422) is N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide is COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)CC(C)C.
What is the InChIKey of N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide?
The InChIKey is NNGNNSXTZJXHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-13(2)10-20(24)23-18-9-7-16(12-19(18)26-5)22-21(25)17-8-6-14(3)11-15(17)4/h6-9,11-13H,10H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide?
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 131938422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).