5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide

C25H26N2O3 — CID 172667822

IUPAC5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide
SMILESCC(C)COc1cccc(-c2cccc3c(C(=O)NC4CCNC4=O)cccc23)c1
InChIInChI=1S/C25H26N2O3/c1-16(2)15-30-18-7-3-6-17(14-18)19-8-4-10-21-20(19)9-5-11-22(21)24(28)27-23-12-13-26-25(23)29/h3-11,14,16,23H,12-13,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyXQDJSINIHHUGAI-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.16
Rot. Bonds6

About 5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide

5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide (PubChem CID 172667822) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide
PubChem CID172667822
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide
SMILESCC(C)COc1cccc(-c2cccc3c(C(=O)NC4CCNC4=O)cccc23)c1
InChIInChI=1S/C25H26N2O3/c1-16(2)15-30-18-7-3-6-17(14-18)19-8-4-10-21-20(19)9-5-11-22(21)24(28)27-23-12-13-26-25(23)29/h3-11,14,16,23H,12-13,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyXQDJSINIHHUGAI-UHFFFAOYSA-N
XLogP4.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-cyclopropylethenyl]-2-[3-(2-methylpropoxy)phenyl]benzene
CID 155932805
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CID 54794746
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119751165
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
N-[3-(2-methylpropoxy)phenyl]-2-piperidin-4-ylacetamide
CID 61030317
2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
CID 94130731
N-(2-adamantyl)-3-(2-methylpropoxy)benzamide
CID 893118
3-[3-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446055
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide?
The IUPAC name of 5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide (CID 172667822) is 5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for 5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide is CC(C)COc1cccc(-c2cccc3c(C(=O)NC4CCNC4=O)cccc23)c1.
What is the InChIKey of 5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide?
The InChIKey is XQDJSINIHHUGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-16(2)15-30-18-7-3-6-17(14-18)19-8-4-10-21-20(19)9-5-11-22(21)24(28)27-23-12-13-26-25(23)29/h3-11,14,16,23H,12-13,15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide?
5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropoxy)phenyl]-N-(2-oxopyrrolidin-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 172667822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).