N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide

C18H19NO3 — CID 56687266

IUPACN-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(=O)c2ccccc2)cc1NC(=O)C(C)C
InChIInChI=1S/C18H19NO3/c1-12(2)18(21)19-15-11-14(9-10-16(15)22-3)17(20)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,21)
InChIKeyLWXGQTXRSPAQBI-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.52
Rot. Bonds5

About N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide

N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide (PubChem CID 56687266) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide
PubChem CID56687266
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(=O)c2ccccc2)cc1NC(=O)C(C)C
InChIInChI=1S/C18H19NO3/c1-12(2)18(21)19-15-11-14(9-10-16(15)22-3)17(20)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,21)
InChIKeyLWXGQTXRSPAQBI-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide
CID 147906172
N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide
CID 118877995
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 5341454
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] benzoate
CID 17419639
4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide
CID 157277660
3-[(2-hydroxy-2-phenylacetyl)amino]-4-methoxy-N-phenylbenzamide
CID 18626235
N-(5-acetyl-2-propan-2-yloxyphenyl)-2-methylpropanamide
CID 82156387
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63742251
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide (CID 56687266) is N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide is COc1ccc(C(=O)c2ccccc2)cc1NC(=O)C(C)C.
What is the InChIKey of N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide?
The InChIKey is LWXGQTXRSPAQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(2)18(21)19-15-11-14(9-10-16(15)22-3)17(20)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,21).
What are the key properties of N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide?
N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide has a molecular weight of 297.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 56687266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).