2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

C18H29N3O3 — CID 51108813

IUPAC2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOCCN(C)CC1CCCN1C(=O)NCc1ccccc1OC
InChIInChI=1S/C18H29N3O3/c1-20(11-12-23-2)14-16-8-6-10-21(16)18(22)19-13-15-7-4-5-9-17(15)24-3/h4-5,7,9,16H,6,8,10-14H2,1-3H3,(H,19,22)
InChIKeyQDAYNAZCPYAPLV-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.95
Rot. Bonds8

About 2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 51108813) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID51108813
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOCCN(C)CC1CCCN1C(=O)NCc1ccccc1OC
InChIInChI=1S/C18H29N3O3/c1-20(11-12-23-2)14-16-8-6-10-21(16)18(22)19-13-15-7-4-5-9-17(15)24-3/h4-5,7,9,16H,6,8,10-14H2,1-3H3,(H,19,22)
InChIKeyQDAYNAZCPYAPLV-UHFFFAOYSA-N
XLogP1.95
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
(2S)-N-[(2-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 119072836
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
4-[[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021378
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 119059677
N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 122570060
(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 125444999
2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122568396
N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838955
(3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 96570139
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4260642
1-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 47075746

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 51108813) is 2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is COCCN(C)CC1CCCN1C(=O)NCc1ccccc1OC.
What is the InChIKey of 2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is QDAYNAZCPYAPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-20(11-12-23-2)14-16-8-6-10-21(16)18(22)19-13-15-7-4-5-9-17(15)24-3/h4-5,7,9,16H,6,8,10-14H2,1-3H3,(H,19,22).
What are the key properties of 2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 51108813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).