5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide

C16H22N2O3 — CID 66769413

IUPAC5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide
SMILESCOc1c(NC(=O)C2CC2)cc(C(C)(C)C)cc1C(N)=O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)10-7-11(14(17)19)13(21-4)12(8-10)18-15(20)9-5-6-9/h7-9H,5-6H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyCZWJDDOLSUQFBK-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.44
Rot. Bonds4

About 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide

5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide (PubChem CID 66769413) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide.

Molecular Properties

Compound Name5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide
PubChem CID66769413
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide
SMILESCOc1c(NC(=O)C2CC2)cc(C(C)(C)C)cc1C(N)=O
InChIInChI=1S/C16H22N2O3/c1-16(2,3)10-7-11(14(17)19)13(21-4)12(8-10)18-15(20)9-5-6-9/h7-9H,5-6H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyCZWJDDOLSUQFBK-UHFFFAOYSA-N
XLogP2.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
tert-butyl N-[5-tert-butyl-3-[5-tert-butyl-2-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-2-methoxyphenyl]carbamate
CID 102391021
(1'R,5'R)-N-(5-tert-butyl-2-methoxyphenyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
CID 50938310
(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1,1-dioxothiolane-3-carboxamide
CID 41141595
N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935911
methyl 4-(cyclopropanecarbonylamino)-2-fluoro-5-hydroxybenzoate
CID 167021138
1-acetyl-N-(4-tert-butyl-2-methylphenyl)piperidine-4-carboxamide
CID 110793182
tert-butyl 4-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 39966282
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide
CID 107798666
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide?
The IUPAC name of 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide (CID 66769413) is 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide.
What is the SMILES notation for 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide?
The canonical SMILES for 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide is COc1c(NC(=O)C2CC2)cc(C(C)(C)C)cc1C(N)=O.
What is the InChIKey of 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide?
The InChIKey is CZWJDDOLSUQFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)10-7-11(14(17)19)13(21-4)12(8-10)18-15(20)9-5-6-9/h7-9H,5-6H2,1-4H3,(H2,17,19)(H,18,20).
What are the key properties of 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide?
5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide has a molecular weight of 290.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(cyclopropanecarbonylamino)-2-methoxybenzamide is sourced from PubChem (CID 66769413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).