N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide

C22H34N2O3 — CID 17466572

IUPACN-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1(CC(=O)NC(C)C)CCCC1
InChIInChI=1S/C22H34N2O3/c1-15(2)23-19(25)14-22(11-7-8-12-22)20(26)24-17-13-16(21(3,4)5)9-10-18(17)27-6/h9-10,13,15H,7-8,11-12,14H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyKYFGHVUWDFSPSV-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.41
Rot. Bonds6

About N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide (PubChem CID 17466572) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
PubChem CID17466572
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1(CC(=O)NC(C)C)CCCC1
InChIInChI=1S/C22H34N2O3/c1-15(2)23-19(25)14-22(11-7-8-12-22)20(26)24-17-13-16(21(3,4)5)9-10-18(17)27-6/h9-10,13,15H,7-8,11-12,14H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyKYFGHVUWDFSPSV-UHFFFAOYSA-N
XLogP4.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 17484166
1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide
CID 18200173
methyl 4-methyl-3-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentanecarbonyl]amino]benzoate
CID 17429779
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
methyl 4-(5-tert-butyl-2-methoxyanilino)-4-oxobutanoate
CID 110776706
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 115434921
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 7028753
N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
CID 2457700
(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
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide (CID 17466572) is N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)C1(CC(=O)NC(C)C)CCCC1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is KYFGHVUWDFSPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-15(2)23-19(25)14-22(11-7-8-12-22)20(26)24-17-13-16(21(3,4)5)9-10-18(17)27-6/h9-10,13,15H,7-8,11-12,14H2,1-6H3,(H,23,25)(H,24,26).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-1-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 17466572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).