3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide

C22H38N4O2 — CID 166217159

IUPAC3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)NCC(c2cccc(OC)c2)N(CC)CC)C1
InChIInChI=1S/C22H38N4O2/c1-6-24(7-2)19-13-14-26(17-19)22(27)23-16-21(25(8-3)9-4)18-11-10-12-20(15-18)28-5/h10-12,15,19,21H,6-9,13-14,16-17H2,1-5H3,(H,23,27)
InChIKeyMOVOCMYXNXCXFO-UHFFFAOYSA-N
MW390.57 g/mol
LogP3.20
Rot. Bonds10

About 3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide

3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 166217159) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID166217159
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C1CCN(C(=O)NCC(c2cccc(OC)c2)N(CC)CC)C1
InChIInChI=1S/C22H38N4O2/c1-6-24(7-2)19-13-14-26(17-19)22(27)23-16-21(25(8-3)9-4)18-11-10-12-20(15-18)28-5/h10-12,15,19,21H,6-9,13-14,16-17H2,1-5H3,(H,23,27)
InChIKeyMOVOCMYXNXCXFO-UHFFFAOYSA-N
XLogP3.20
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51936361
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60562956
3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55836468
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119837688
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 56516620
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
CID 119039953
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929250
2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide
CID 166183209
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide (CID 166217159) is 3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide is CCN(CC)C1CCN(C(=O)NCC(c2cccc(OC)c2)N(CC)CC)C1.
What is the InChIKey of 3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is MOVOCMYXNXCXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-6-24(7-2)19-13-14-26(17-19)22(27)23-16-21(25(8-3)9-4)18-11-10-12-20(15-18)28-5/h10-12,15,19,21H,6-9,13-14,16-17H2,1-5H3,(H,23,27).
What are the key properties of 3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide?
3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 390.57 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 166217159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).