N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C17H30N2O — CID 107172279

IUPACN-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESO=C(NC1CCCNCC1)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30N2O/c20-17(19-16-6-3-10-18-11-9-16)15-8-7-13-4-1-2-5-14(13)12-15/h13-16,18H,1-12H2,(H,19,20)
InChIKeyWSRONNKFGVHVIS-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.85
Rot. Bonds2

About N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 107172279) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID107172279
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESO=C(NC1CCCNCC1)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30N2O/c20-17(19-16-6-3-10-18-11-9-16)15-8-7-13-4-1-2-5-14(13)12-15/h13-16,18H,1-12H2,(H,19,20)
InChIKeyWSRONNKFGVHVIS-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

N-(azepan-4-yl)cyclohexanecarboxamide
CID 105059767
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
N-piperidin-4-ylcycloheptanecarboxamide
CID 62587546
N-cycloheptylpiperidine-4-carboxamide;hydrochloride
CID 70702347
4-(cyclopentanecarbonylamino)-N-piperidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119427846
N-(azepan-4-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107172304
N-[3-(piperidine-4-carbonylamino)cyclohexyl]piperidine-4-carboxamide
CID 171722600
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
N-piperidin-4-ylazetidine-3-carboxamide
CID 123647317
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-(azepan-4-yl)prop-2-ynamide
CID 107172306

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 107172279) is N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is O=C(NC1CCCNCC1)C1CCC2CCCCC2C1.
What is the InChIKey of N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is WSRONNKFGVHVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c20-17(19-16-6-3-10-18-11-9-16)15-8-7-13-4-1-2-5-14(13)12-15/h13-16,18H,1-12H2,(H,19,20).
What are the key properties of N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107172279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).