1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide

C18H34N2O2 — CID 23208382

IUPAC1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide
SMILESNC(=O)CCCCCCCCCC1(C(N)=O)CCCCCC1
InChIInChI=1S/C18H34N2O2/c19-16(21)12-8-4-2-1-3-5-9-13-18(17(20)22)14-10-6-7-11-15-18/h1-15H2,(H2,19,21)(H2,20,22)
InChIKeyOWBIALDAIUAWQM-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.81
Rot. Bonds11

About 1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide

1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide (PubChem CID 23208382) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide
PubChem CID23208382
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide
SMILESNC(=O)CCCCCCCCCC1(C(N)=O)CCCCCC1
InChIInChI=1S/C18H34N2O2/c19-16(21)12-8-4-2-1-3-5-9-13-18(17(20)22)14-10-6-7-11-15-18/h1-15H2,(H2,19,21)(H2,20,22)
InChIKeyOWBIALDAIUAWQM-UHFFFAOYSA-N
XLogP3.81
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.81
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-(8-amino-8-oxooctyl)cycloundecane-1-carboxamide
CID 66641260
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-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide (CID 23208382) is 1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide is NC(=O)CCCCCCCCCC1(C(N)=O)CCCCCC1.
What is the InChIKey of 1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide?
The InChIKey is OWBIALDAIUAWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c19-16(21)12-8-4-2-1-3-5-9-13-18(17(20)22)14-10-6-7-11-15-18/h1-15H2,(H2,19,21)(H2,20,22).
What are the key properties of 1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide?
1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide has a molecular weight of 310.48 g/mol, XLogP of 3.81, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-amino-10-oxodecyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 23208382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).