N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide

C14H17NO2 — CID 3967307

IUPACN-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC23CCC3)cc1
InChIInChI=1S/C14H17NO2/c1-17-11-5-3-10(4-6-11)15-13(16)12-9-14(12)7-2-8-14/h3-6,12H,2,7-9H2,1H3,(H,15,16)
InChIKeyARBZHNBCGNQINX-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.82
Rot. Bonds3

About N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide

N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide (PubChem CID 3967307) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide
PubChem CID3967307
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC23CCC3)cc1
InChIInChI=1S/C14H17NO2/c1-17-11-5-3-10(4-6-11)15-13(16)12-9-14(12)7-2-8-14/h3-6,12H,2,7-9H2,1H3,(H,15,16)
InChIKeyARBZHNBCGNQINX-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
CID 56689692
2-[4-(spiro[2.2]pentane-2-carbonylamino)phenoxy]acetic acid
CID 122108484
(1S)-N-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2260163
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide
CID 155221361
(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95105764
trans-(1S,3R)-3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 774564
(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide
CID 13135700
1-formamido-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 15065034
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 774391

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide (CID 3967307) is N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide is COc1ccc(NC(=O)C2CC23CCC3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide?
The InChIKey is ARBZHNBCGNQINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-11-5-3-10(4-6-11)15-13(16)12-9-14(12)7-2-8-14/h3-6,12H,2,7-9H2,1H3,(H,15,16).
What are the key properties of N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide?
N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 3967307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).