N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C18H27N3O4 — CID 75462412

IUPACN-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C(CN(C)C)NC(=O)C2CC(=O)N(C)C2)cc1OC
InChIInChI=1S/C18H27N3O4/c1-20(2)11-14(12-6-7-15(24-4)16(8-12)25-5)19-18(23)13-9-17(22)21(3)10-13/h6-8,13-14H,9-11H2,1-5H3,(H,19,23)
InChIKeyMHQKCGZCGCNXBC-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.90
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 75462412) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID75462412
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C(CN(C)C)NC(=O)C2CC(=O)N(C)C2)cc1OC
InChIInChI=1S/C18H27N3O4/c1-20(2)11-14(12-6-7-15(24-4)16(8-12)25-5)19-18(23)13-9-17(22)21(3)10-13/h6-8,13-14H,9-11H2,1-5H3,(H,19,23)
InChIKeyMHQKCGZCGCNXBC-UHFFFAOYSA-N
XLogP0.90
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 100906462
(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95291646
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95616808
3-(3-bromophenyl)-3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119192463
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108788294
3-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108791269
3-(cyclohexanecarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 3621497
3-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108788313
N-[(2S)-1-hydroxybutan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 104981078
(4S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311059
(3S)-N-[(1S)-1-cyclopropylethyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30806087

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 75462412) is N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccc(C(CN(C)C)NC(=O)C2CC(=O)N(C)C2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MHQKCGZCGCNXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-20(2)11-14(12-6-7-15(24-4)16(8-12)25-5)19-18(23)13-9-17(22)21(3)10-13/h6-8,13-14H,9-11H2,1-5H3,(H,19,23).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75462412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).