N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide

C16H20N2O3 — CID 23856712

IUPACN-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)C1CCC(=O)N1)CCCC2
InChIInChI=1S/C16H20N2O3/c1-21-14-9-11-5-3-2-4-10(11)8-13(14)18-16(20)12-6-7-15(19)17-12/h8-9,12H,2-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyIUFGUWYFXNFXRB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.79
Rot. Bonds3

About N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide

N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 23856712) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID23856712
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)C1CCC(=O)N1)CCCC2
InChIInChI=1S/C16H20N2O3/c1-21-14-9-11-5-3-2-4-10(11)8-13(14)18-16(20)12-6-7-15(19)17-12/h8-9,12H,2-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyIUFGUWYFXNFXRB-UHFFFAOYSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736
N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
CID 166073714
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420928
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
N-[2-methoxy-5-[2-(oxan-4-yl)ethenyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 175517211
3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1163292
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 110689690
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)adamantane-1-carboxamide
CID 140896369

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide (CID 23856712) is N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide is COc1cc2c(cc1NC(=O)C1CCC(=O)N1)CCCC2.
What is the InChIKey of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is IUFGUWYFXNFXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-14-9-11-5-3-2-4-10(11)8-13(14)18-16(20)12-6-7-15(19)17-12/h8-9,12H,2-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide?
N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 23856712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).