3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide

C16H25N3O2 — CID 114799612

IUPAC3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
SMILESCNC(C)c1cccc(NC(=O)N2CCC(CCO)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12(17-2)14-4-3-5-15(10-14)18-16(21)19-8-6-13(11-19)7-9-20/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3,(H,18,21)
InChIKeyRFKIRUQSDDYGSA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.20
Rot. Bonds5

About 3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide

3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 114799612) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID114799612
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
SMILESCNC(C)c1cccc(NC(=O)N2CCC(CCO)C2)c1
InChIInChI=1S/C16H25N3O2/c1-12(17-2)14-4-3-5-15(10-14)18-16(21)19-8-6-13(11-19)7-9-20/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3,(H,18,21)
InChIKeyRFKIRUQSDDYGSA-UHFFFAOYSA-N
XLogP2.20
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]azepane-1-carboxamide
CID 63627419
N-[3-[1-(methylamino)ethyl]phenyl]-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 66370506
(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 104968384
2-cyclobutyl-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 103162221
N-[3-[1-(methylamino)ethyl]phenyl]-1,4-thiazepane-4-carboxamide
CID 61423384
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
CID 110923971
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide (CID 114799612) is 3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide is CNC(C)c1cccc(NC(=O)N2CCC(CCO)C2)c1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is RFKIRUQSDDYGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(17-2)14-4-3-5-15(10-14)18-16(21)19-8-6-13(11-19)7-9-20/h3-5,10,12-13,17,20H,6-9,11H2,1-2H3,(H,18,21).
What are the key properties of 3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide?
3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 114799612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).