N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide

C31H58N2O2 — CID 126513505

IUPACN-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide
SMILESCC(N=O)C1CCCCCCCC(C(=O)NC2CCCCCCCCCCCC2)CCCCCC1
InChIInChI=1S/C31H58N2O2/c1-27(33-35)28-21-15-9-8-10-17-23-29(24-18-14-13-16-22-28)31(34)32-30-25-19-11-6-4-2-3-5-7-12-20-26-30/h27-30H,2-26H2,1H3,(H,32,34)
InChIKeyROMPZEJMQHUSGL-UHFFFAOYSA-N
MW490.82 g/mol
LogP9.64
Rot. Bonds4

About N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide

N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide (PubChem CID 126513505) has the molecular formula C31H58N2O2 and a molecular weight of 490.82 g/mol. Its IUPAC name is N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide.

Molecular Properties

Compound NameN-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide
PubChem CID126513505
Molecular FormulaC31H58N2O2
Molecular Weight490.82 g/mol
Exact Mass490.45
IUPAC NameN-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide
SMILESCC(N=O)C1CCCCCCCC(C(=O)NC2CCCCCCCCCCCC2)CCCCCC1
InChIInChI=1S/C31H58N2O2/c1-27(33-35)28-21-15-9-8-10-17-23-29(24-18-14-13-16-22-28)31(34)32-30-25-19-11-6-4-2-3-5-7-12-20-26-30/h27-30H,2-26H2,1H3,(H,32,34)
InChIKeyROMPZEJMQHUSGL-UHFFFAOYSA-N
XLogP9.64
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(1-aminoethyl)-N-cyclooctylcyclodecane-1-carboxamide
CID 129211806
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopentylcyclobutanecarboxamide
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N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717
N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide
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CID 62587546

Frequently Asked Questions

What is the IUPAC name of N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide?
The IUPAC name of N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide (CID 126513505) is N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide.
What is the SMILES notation for N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide?
The canonical SMILES for N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide is CC(N=O)C1CCCCCCCC(C(=O)NC2CCCCCCCCCCCC2)CCCCCC1.
What is the InChIKey of N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide?
The InChIKey is ROMPZEJMQHUSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N2O2/c1-27(33-35)28-21-15-9-8-10-17-23-29(24-18-14-13-16-22-28)31(34)32-30-25-19-11-6-4-2-3-5-7-12-20-26-30/h27-30H,2-26H2,1H3,(H,32,34).
What are the key properties of N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide?
N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide has a molecular weight of 490.82 g/mol, XLogP of 9.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclotridecyl-8-(1-nitrosoethyl)cyclopentadecane-1-carboxamide is sourced from PubChem (CID 126513505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).