N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide

C22H32N2O3 — CID 17484166

IUPACN-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1(CC(=O)NC2CC2)CCCC1
InChIInChI=1S/C22H32N2O3/c1-21(2,3)15-7-10-18(27-4)17(13-15)24-20(26)22(11-5-6-12-22)14-19(25)23-16-8-9-16/h7,10,13,16H,5-6,8-9,11-12,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLGHBLSDKJGQFQE-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.16
Rot. Bonds6

About N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 17484166) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID17484166
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1(CC(=O)NC2CC2)CCCC1
InChIInChI=1S/C22H32N2O3/c1-21(2,3)15-7-10-18(27-4)17(13-15)24-20(26)22(11-5-6-12-22)14-19(25)23-16-8-9-16/h7,10,13,16H,5-6,8-9,11-12,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLGHBLSDKJGQFQE-UHFFFAOYSA-N
XLogP4.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.16
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
1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide
CID 18200173
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 7028753
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 9046647
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
(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
1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979497
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2335761
methyl 4-(5-tert-butyl-2-methoxyanilino)-4-oxobutanoate
CID 110776706
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 17484166) is N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)C1(CC(=O)NC2CC2)CCCC1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is LGHBLSDKJGQFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-21(2,3)15-7-10-18(27-4)17(13-15)24-20(26)22(11-5-6-12-22)14-19(25)23-16-8-9-16/h7,10,13,16H,5-6,8-9,11-12,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 4.16, 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-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 17484166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).