N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide

C23H34N2O4 — CID 60549837

IUPACN-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCCC2C2CCCCC2)cc1OCC
InChIInChI=1S/C23H34N2O4/c1-3-28-20-13-12-18(15-21(20)29-4-2)23(27)24-16-22(26)25-14-8-11-19(25)17-9-6-5-7-10-17/h12-13,15,17,19H,3-11,14,16H2,1-2H3,(H,24,27)
InChIKeyQSUFEVBLSPXMNB-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.79
Rot. Bonds8

About N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 60549837) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID60549837
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC NameN-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCCC2C2CCCCC2)cc1OCC
InChIInChI=1S/C23H34N2O4/c1-3-28-20-13-12-18(15-21(20)29-4-2)23(27)24-16-22(26)25-14-8-11-19(25)17-9-6-5-7-10-17/h12-13,15,17,19H,3-11,14,16H2,1-2H3,(H,24,27)
InChIKeyQSUFEVBLSPXMNB-UHFFFAOYSA-N
XLogP3.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136578451
N-[2-(2-cyclobutylpyrrolidin-1-yl)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 154745313
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544385
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573697
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 8574832
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345629
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 8574146

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide (CID 60549837) is N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)N2CCCC2C2CCCCC2)cc1OCC.
What is the InChIKey of N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is QSUFEVBLSPXMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-3-28-20-13-12-18(15-21(20)29-4-2)23(27)24-16-22(26)25-14-8-11-19(25)17-9-6-5-7-10-17/h12-13,15,17,19H,3-11,14,16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 402.54 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 60549837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).