N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide

C18H28N2O4 — CID 122570060

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide
SMILESCCOCC1CCCN1C(=O)NCc1cccc(OC)c1OCC
InChIInChI=1S/C18H28N2O4/c1-4-23-13-15-9-7-11-20(15)18(21)19-12-14-8-6-10-16(22-3)17(14)24-5-2/h6,8,10,15H,4-5,7,9,11-13H2,1-3H3,(H,19,21)
InChIKeyFAWAGOKNUYMNIU-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.80
Rot. Bonds8

About N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide

N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 122570060) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide
PubChem CID122570060
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide
SMILESCCOCC1CCCN1C(=O)NCc1cccc(OC)c1OCC
InChIInChI=1S/C18H28N2O4/c1-4-23-13-15-9-7-11-20(15)18(21)19-12-14-8-6-10-16(22-3)17(14)24-5-2/h6,8,10,15H,4-5,7,9,11-13H2,1-3H3,(H,19,21)
InChIKeyFAWAGOKNUYMNIU-UHFFFAOYSA-N
XLogP2.80
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2,3-dimethoxyphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 126441822
cis-(1S,2R)-2-[(2-ethoxy-3-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42232047
cis-(1R,2S)-2-[(2-ethoxy-3-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42232053
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628251
(2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 126429890
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
2-[[2-methoxyethyl(methyl)amino]methyl]-N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 51108813
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286
(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 95279316
2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122568396
(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 125444999

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide (CID 122570060) is N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide is CCOCC1CCCN1C(=O)NCc1cccc(OC)c1OCC.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is FAWAGOKNUYMNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-4-23-13-15-9-7-11-20(15)18(21)19-12-14-8-6-10-16(22-3)17(14)24-5-2/h6,8,10,15H,4-5,7,9,11-13H2,1-3H3,(H,19,21).
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide?
N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 122570060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).