1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide

C20H30N2O3 — CID 18200173

IUPAC1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(CC(=O)NC(C)(C)C)CCCC1
InChIInChI=1S/C20H30N2O3/c1-14-8-9-16(25-5)15(12-14)21-18(24)20(10-6-7-11-20)13-17(23)22-19(2,3)4/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyMLBXPQVSNHWFOU-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.81
Rot. Bonds5

About 1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide

1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 18200173) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide
PubChem CID18200173
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(CC(=O)NC(C)(C)C)CCCC1
InChIInChI=1S/C20H30N2O3/c1-14-8-9-16(25-5)15(12-14)21-18(24)20(10-6-7-11-20)13-17(23)22-19(2,3)4/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyMLBXPQVSNHWFOU-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 17466572
N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 17484166
2-(1-aminocyclobutyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 79851412
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981334
1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide
CID 110438579
N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide
CID 31699354
(2S)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methyloxolane-2-carboxamide
CID 95228127
1-carbamothioyl-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 80591589
1-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61183715
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 115434921
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide (CID 18200173) is 1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide is COc1ccc(C)cc1NC(=O)C1(CC(=O)NC(C)(C)C)CCCC1.
What is the InChIKey of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is MLBXPQVSNHWFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14-8-9-16(25-5)15(12-14)21-18(24)20(10-6-7-11-20)13-17(23)22-19(2,3)4/h8-9,12H,6-7,10-11,13H2,1-5H3,(H,21,24)(H,22,23).
What are the key properties of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide?
1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 18200173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).