N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide

C20H30N2O5 — CID 139754115

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide
SMILESCCN1CCCC1CNC(=O)c1cc(OC)cc(OC)c1OC(C)C(C)=O
InChIInChI=1S/C20H30N2O5/c1-6-22-9-7-8-15(22)12-21-20(24)17-10-16(25-4)11-18(26-5)19(17)27-14(3)13(2)23/h10-11,14-15H,6-9,12H2,1-5H3,(H,21,24)
InChIKeyOHBJMMLZWWSAIZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.27
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide (PubChem CID 139754115) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide
PubChem CID139754115
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide
SMILESCCN1CCCC1CNC(=O)c1cc(OC)cc(OC)c1OC(C)C(C)=O
InChIInChI=1S/C20H30N2O5/c1-6-22-9-7-8-15(22)12-21-20(24)17-10-16(25-4)11-18(26-5)19(17)27-14(3)13(2)23/h10-11,14-15H,6-9,12H2,1-5H3,(H,21,24)
InChIKeyOHBJMMLZWWSAIZ-UHFFFAOYSA-N
XLogP2.27
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
5-butanoyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
CID 175104597
4-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
CID 165341550
2-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethoxybenzamide
CID 14076876
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
CID 19738289
4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydrochloride
CID 77108201
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-methoxy-2H-benzotriazole-5-carboxamide
CID 92973518
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693
[6-bromo-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methoxyphenyl] acetate
CID 13493835

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide (CID 139754115) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide is CCN1CCCC1CNC(=O)c1cc(OC)cc(OC)c1OC(C)C(C)=O.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide?
The InChIKey is OHBJMMLZWWSAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-6-22-9-7-8-15(22)12-21-20(24)17-10-16(25-4)11-18(26-5)19(17)27-14(3)13(2)23/h10-11,14-15H,6-9,12H2,1-5H3,(H,21,24).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide has a molecular weight of 378.47 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethoxy-2-(3-oxobutan-2-yloxy)benzamide is sourced from PubChem (CID 139754115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).