N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide

C18H26N2O3 — CID 136566570

IUPACN-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide
SMILESCCC1(CC)CNC(=O)C1NC(=O)CCc1cccc(OC)c1
InChIInChI=1S/C18H26N2O3/c1-4-18(5-2)12-19-17(22)16(18)20-15(21)10-9-13-7-6-8-14(11-13)23-3/h6-8,11,16H,4-5,9-10,12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyOODUXIFJUQXWGT-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.05
Rot. Bonds7

About N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide

N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide (PubChem CID 136566570) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide
PubChem CID136566570
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide
SMILESCCC1(CC)CNC(=O)C1NC(=O)CCc1cccc(OC)c1
InChIInChI=1S/C18H26N2O3/c1-4-18(5-2)12-19-17(22)16(18)20-15(21)10-9-13-7-6-8-14(11-13)23-3/h6-8,11,16H,4-5,9-10,12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyOODUXIFJUQXWGT-UHFFFAOYSA-N
XLogP2.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601809
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide
CID 110719748
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide
CID 56547257
ethyl N-[3-(3-methoxyphenyl)propanoylamino]carbamate
CID 31100769

Frequently Asked Questions

What is the IUPAC name of N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide (CID 136566570) is N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide is CCC1(CC)CNC(=O)C1NC(=O)CCc1cccc(OC)c1.
What is the InChIKey of N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is OODUXIFJUQXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-18(5-2)12-19-17(22)16(18)20-15(21)10-9-13-7-6-8-14(11-13)23-3/h6-8,11,16H,4-5,9-10,12H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide?
N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 136566570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).