1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide

C20H30N2O3 — CID 113184536

IUPAC1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CC(=O)N(CCc2cccc(OC)c2)C1
InChIInChI=1S/C20H30N2O3/c1-4-10-21(11-5-2)20(24)17-14-19(23)22(15-17)12-9-16-7-6-8-18(13-16)25-3/h6-8,13,17H,4-5,9-12,14-15H2,1-3H3
InChIKeyRELHPDHNHOTXPQ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.73
Rot. Bonds9

About 1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide

1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide (PubChem CID 113184536) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
PubChem CID113184536
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CC(=O)N(CCc2cccc(OC)c2)C1
InChIInChI=1S/C20H30N2O3/c1-4-10-21(11-5-2)20(24)17-14-19(23)22(15-17)12-9-16-7-6-8-18(13-16)25-3/h6-8,13,17H,4-5,9-12,14-15H2,1-3H3
InChIKeyRELHPDHNHOTXPQ-UHFFFAOYSA-N
XLogP2.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516
S-[1-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705313
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-bis(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55348796
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51153764
N-(3,4-difluorophenyl)-1-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184601
1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113182555
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
1-[2-(3-methoxyphenyl)ethyl]-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184557
1-[2-(3-chlorophenyl)ethyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185855
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
CID 119206525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide (CID 113184536) is 1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide is CCCN(CCC)C(=O)C1CC(=O)N(CCc2cccc(OC)c2)C1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The InChIKey is RELHPDHNHOTXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-10-21(11-5-2)20(24)17-14-19(23)22(15-17)12-9-16-7-6-8-18(13-16)25-3/h6-8,13,17H,4-5,9-12,14-15H2,1-3H3.
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113184536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).