N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C18H28N2O3 — CID 111380972

IUPACN,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1CC(O)c1cccc(OC)c1
InChIInChI=1S/C18H28N2O3/c1-4-19(5-2)18(22)16-10-7-11-20(16)13-17(21)14-8-6-9-15(12-14)23-3/h6,8-9,12,16-17,21H,4-5,7,10-11,13H2,1-3H3
InChIKeyUJQJOBMNPNVDOA-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.06
Rot. Bonds7

About N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 111380972) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID111380972
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1CC(O)c1cccc(OC)c1
InChIInChI=1S/C18H28N2O3/c1-4-19(5-2)18(22)16-10-7-11-20(16)13-17(21)14-8-6-9-15(12-14)23-3/h6,8-9,12,16-17,21H,4-5,7,10-11,13H2,1-3H3
InChIKeyUJQJOBMNPNVDOA-UHFFFAOYSA-N
XLogP2.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 81133458
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 81133466
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197650
1-(3-methoxyphenyl)-2-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111489071
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 81133473
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 111379146
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 111380972) is N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)C1CCCN1CC(O)c1cccc(OC)c1.
What is the InChIKey of N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is UJQJOBMNPNVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-19(5-2)18(22)16-10-7-11-20(16)13-17(21)14-8-6-9-15(12-14)23-3/h6,8-9,12,16-17,21H,4-5,7,10-11,13H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 111380972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).