N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide

C20H20N2O3 — CID 136531451

IUPACN-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CC23CCOC3)c1)c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18(14-5-2-1-3-6-14)21-15-7-4-8-16(11-15)22-19(24)17-12-20(17)9-10-25-13-20/h1-8,11,17H,9-10,12-13H2,(H,21,23)(H,22,24)
InChIKeyJTTSYHSUXDZDPD-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.30
Rot. Bonds4

About N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide

N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide (PubChem CID 136531451) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide
PubChem CID136531451
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CC23CCOC3)c1)c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18(14-5-2-1-3-6-14)21-15-7-4-8-16(11-15)22-19(24)17-12-20(17)9-10-25-13-20/h1-8,11,17H,9-10,12-13H2,(H,21,23)(H,22,24)
InChIKeyJTTSYHSUXDZDPD-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492919
(2S,3R)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492920
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[3-(1-hydroxycyclopentyl)phenyl]benzamide
CID 176725506
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide
CID 127874853
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
1-N-phenyl-4-N-[3-[[4-(phenylcarbamoyl)cyclohexa-1,5-diene-1-carbonyl]amino]phenyl]benzene-1,4-dicarboxamide
CID 123970431
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide (CID 136531451) is N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide is O=C(Nc1cccc(NC(=O)C2CC23CCOC3)c1)c1ccccc1.
What is the InChIKey of N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide?
The InChIKey is JTTSYHSUXDZDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18(14-5-2-1-3-6-14)21-15-7-4-8-16(11-15)22-19(24)17-12-20(17)9-10-25-13-20/h1-8,11,17H,9-10,12-13H2,(H,21,23)(H,22,24).
What are the key properties of N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide?
N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-5-oxaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 136531451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).