N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide

C24H42N2O2 — CID 171722262

IUPACN-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
SMILESO=C(NC1CCCCC1NC(=O)C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C24H42N2O2/c27-23(19-13-7-3-1-4-8-14-19)25-21-17-11-12-18-22(21)26-24(28)20-15-9-5-2-6-10-16-20/h19-22H,1-18H2,(H,25,27)(H,26,28)
InChIKeyNIQPNXZZJCMJFT-UHFFFAOYSA-N
MW390.61 g/mol
LogP5.25
Rot. Bonds4

About N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide

N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide (PubChem CID 171722262) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
PubChem CID171722262
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC NameN-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
SMILESO=C(NC1CCCCC1NC(=O)C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C24H42N2O2/c27-23(19-13-7-3-1-4-8-14-19)25-21-17-11-12-18-22(21)26-24(28)20-15-9-5-2-6-10-16-20/h19-22H,1-18H2,(H,25,27)(H,26,28)
InChIKeyNIQPNXZZJCMJFT-UHFFFAOYSA-N
XLogP5.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromocyclohexyl)cycloheptanecarboxamide
CID 114311963
4-sulfanyl-N-[2-[(4-sulfanylcyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide
CID 171722592
N-(2-aminocyclopropyl)cyclohexanecarboxamide
CID 43593715
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide
CID 100825397
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclodecylcyclododecanecarboxamide
CID 135182352

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide?
The IUPAC name of N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide (CID 171722262) is N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide?
The canonical SMILES for N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide is O=C(NC1CCCCC1NC(=O)C1CCCCCCC1)C1CCCCCCC1.
What is the InChIKey of N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide?
The InChIKey is NIQPNXZZJCMJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O2/c27-23(19-13-7-3-1-4-8-14-19)25-21-17-11-12-18-22(21)26-24(28)20-15-9-5-2-6-10-16-20/h19-22H,1-18H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide?
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide has a molecular weight of 390.61 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide is sourced from PubChem (CID 171722262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).