1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide

C20H38N2O2 — CID 66641260

IUPAC1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide
SMILESNC(=O)CCCCCCCC1(C(N)=O)CCCCCCCCCC1
InChIInChI=1S/C20H38N2O2/c21-18(23)14-10-6-5-9-13-17-20(19(22)24)15-11-7-3-1-2-4-8-12-16-20/h1-17H2,(H2,21,23)(H2,22,24)
InChIKeyLRADQTDVZRVQEP-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.59
Rot. Bonds9

About 1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide

1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide (PubChem CID 66641260) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide.

Molecular Properties

Compound Name1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide
PubChem CID66641260
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide
SMILESNC(=O)CCCCCCCC1(C(N)=O)CCCCCCCCCC1
InChIInChI=1S/C20H38N2O2/c21-18(23)14-10-6-5-9-13-17-20(19(22)24)15-11-7-3-1-2-4-8-12-16-20/h1-17H2,(H2,21,23)(H2,22,24)
InChIKeyLRADQTDVZRVQEP-UHFFFAOYSA-N
XLogP4.59
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide
CID 23208382
1-(4-amino-4-oxobutyl)cyclododecane-1-carboxamide
CID 67540798
1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;1-(8-amino-8-oxooctyl)cycloheptane-1-carboxamide;decanamide
CID 70614792
1-butylcyclohexane-1-carboxamide
CID 57018178
6-(1-methylcyclohexyl)hexanamide
CID 154219195
1-decylcyclobutane-1-carboxamide
CID 10037267
1-(4-amino-4-oxobutyl)cycloheptane-1-carboxamide;azepan-2-one
CID 70633655
cyclohexane;hexanediamide
CID 22340258
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-(7-amino-7-oxoheptyl)-N-(7-oxoazepan-2-yl)cycloheptane-1-carboxamide
CID 67944163

Frequently Asked Questions

What is the IUPAC name of 1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide?
The IUPAC name of 1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide (CID 66641260) is 1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide.
What is the SMILES notation for 1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide?
The canonical SMILES for 1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide is NC(=O)CCCCCCCC1(C(N)=O)CCCCCCCCCC1.
What is the InChIKey of 1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide?
The InChIKey is LRADQTDVZRVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c21-18(23)14-10-6-5-9-13-17-20(19(22)24)15-11-7-3-1-2-4-8-12-16-20/h1-17H2,(H2,21,23)(H2,22,24).
What are the key properties of 1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide?
1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide has a molecular weight of 338.54 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide is sourced from PubChem (CID 66641260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).