N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C24H30N2O4 — CID 55407060

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc(CN3CCCC3=O)c2)cc1OCC
InChIInChI=1S/C24H30N2O4/c1-4-29-21-12-11-19(15-22(21)30-5-2)17(3)25-24(28)20-9-6-8-18(14-20)16-26-13-7-10-23(26)27/h6,8-9,11-12,14-15,17H,4-5,7,10,13,16H2,1-3H3,(H,25,28)
InChIKeyQVBLIRKCUSZWIZ-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.10
Rot. Bonds9

About N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55407060) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55407060
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc(CN3CCCC3=O)c2)cc1OCC
InChIInChI=1S/C24H30N2O4/c1-4-29-21-12-11-19(15-22(21)30-5-2)17(3)25-24(28)20-9-6-8-18(14-20)16-26-13-7-10-23(26)27/h6,8-9,11-12,14-15,17H,4-5,7,10,13,16H2,1-3H3,(H,25,28)
InChIKeyQVBLIRKCUSZWIZ-UHFFFAOYSA-N
XLogP4.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9162465
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9264414
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9478642
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 78808076
N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9376524
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide
CID 49360580
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94815501
methyl (2S)-3,3-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]butanoate
CID 56794232
(2S)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 45339810
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51966657

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 55407060) is N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CCOc1ccc(C(C)NC(=O)c2cccc(CN3CCCC3=O)c2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is QVBLIRKCUSZWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-29-21-12-11-19(15-22(21)30-5-2)17(3)25-24(28)20-9-6-8-18(14-20)16-26-13-7-10-23(26)27/h6,8-9,11-12,14-15,17H,4-5,7,10,13,16H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 410.51 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55407060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).