N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide

C16H18N2O — CID 155221361

IUPACN-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC23CCCCC3)cc1
InChIInChI=1S/C16H18N2O/c17-11-12-4-6-13(7-5-12)18-15(19)14-10-16(14)8-2-1-3-9-16/h4-7,14H,1-3,8-10H2,(H,18,19)
InChIKeyNSXKWWLWMAXJPB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.47
Rot. Bonds2

About N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide

N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide (PubChem CID 155221361) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide
PubChem CID155221361
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC23CCCCC3)cc1
InChIInChI=1S/C16H18N2O/c17-11-12-4-6-13(7-5-12)18-15(19)14-10-16(14)8-2-1-3-9-16/h4-7,14H,1-3,8-10H2,(H,18,19)
InChIKeyNSXKWWLWMAXJPB-UHFFFAOYSA-N
XLogP3.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2832320
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171686481
1-[(4-cyanophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55035312
1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095222
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
CID 79341766
1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
CID 61300035
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
N-[4-(4-cyanophenoxy)phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110908058
N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583698

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide (CID 155221361) is N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide is N#Cc1ccc(NC(=O)C2CC23CCCCC3)cc1.
What is the InChIKey of N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide?
The InChIKey is NSXKWWLWMAXJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-11-12-4-6-13(7-5-12)18-15(19)14-10-16(14)8-2-1-3-9-16/h4-7,14H,1-3,8-10H2,(H,18,19).
What are the key properties of N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide?
N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 155221361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).