N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C21H30N2O5 — CID 43056773

IUPACN-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)N(C)C3CCCCC3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C21H30N2O5/c1-22(15-8-6-5-7-9-15)21(25)14-10-19(24)23(13-14)16-11-17(26-2)20(28-4)18(12-16)27-3/h11-12,14-15H,5-10,13H2,1-4H3
InChIKeyHHKKJGLLPGGFID-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.86
Rot. Bonds6

About N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 43056773) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID43056773
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC NameN-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)N(C)C3CCCCC3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C21H30N2O5/c1-22(15-8-6-5-7-9-15)21(25)14-10-19(24)23(13-14)16-11-17(26-2)20(28-4)18(12-16)27-3/h11-12,14-15H,5-10,13H2,1-4H3
InChIKeyHHKKJGLLPGGFID-UHFFFAOYSA-N
XLogP2.86
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43053261
2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 119346110
N-methyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 56510635
3-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119362275
1-(3-chlorophenyl)-N-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46584097
N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42953424
1-(3-methoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 46564890
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
[(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate
CID 97341482
4-(4-aminopiperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119376203
1-cyclohexyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7216073
N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55537021

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 43056773) is N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)N(C)C3CCCCC3)CC2=O)cc(OC)c1OC.
What is the InChIKey of N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is HHKKJGLLPGGFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-22(15-8-6-5-7-9-15)21(25)14-10-19(24)23(13-14)16-11-17(26-2)20(28-4)18(12-16)27-3/h11-12,14-15H,5-10,13H2,1-4H3.
What are the key properties of N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 43056773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).