methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate

C19H27NO4 — CID 123897670

IUPACmethyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)c(N(C(=O)C(C)(C)C)C2CCC2)c(OC)c1
InChIInChI=1S/C19H27NO4/c1-12-10-13(17(21)24-6)11-15(23-5)16(12)20(14-8-7-9-14)18(22)19(2,3)4/h10-11,14H,7-9H2,1-6H3
InChIKeyBHIATWBIUYXXFR-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.72
Rot. Bonds4

About methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate

methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate (PubChem CID 123897670) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate
PubChem CID123897670
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Namemethyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)c(N(C(=O)C(C)(C)C)C2CCC2)c(OC)c1
InChIInChI=1S/C19H27NO4/c1-12-10-13(17(21)24-6)11-15(23-5)16(12)20(14-8-7-9-14)18(22)19(2,3)4/h10-11,14H,7-9H2,1-6H3
InChIKeyBHIATWBIUYXXFR-UHFFFAOYSA-N
XLogP3.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-fluoro-5-methoxybenzoate
CID 144575126
4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-fluoro-5-methoxybenzoic acid
CID 123888018
N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide
CID 123337325
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
ethane;methyl 4-chloro-3-methoxy-5-methylbenzoate
CID 145414016
methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate
CID 117053281
methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate
CID 10447980
methyl 3-chloro-4-(cyclobutylamino)-5-methoxybenzoate
CID 123475225
N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide
CID 123533987
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate?
The IUPAC name of methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate (CID 123897670) is methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate.
What is the SMILES notation for methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate?
The canonical SMILES for methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate is COC(=O)c1cc(C)c(N(C(=O)C(C)(C)C)C2CCC2)c(OC)c1.
What is the InChIKey of methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate?
The InChIKey is BHIATWBIUYXXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-12-10-13(17(21)24-6)11-15(23-5)16(12)20(14-8-7-9-14)18(22)19(2,3)4/h10-11,14H,7-9H2,1-6H3.
What are the key properties of methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate?
methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate has a molecular weight of 333.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-methoxy-5-methylbenzoate is sourced from PubChem (CID 123897670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).