N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide

C20H34N2O4 — CID 142723110

IUPACN-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide
SMILESCC(=O)CCCCC(=O)N(C(=O)CCCCC(C)=O)C1CCCC(N)C1
InChIInChI=1S/C20H34N2O4/c1-15(23)8-3-5-12-19(25)22(18-11-7-10-17(21)14-18)20(26)13-6-4-9-16(2)24/h17-18H,3-14,21H2,1-2H3
InChIKeyMRXJQSDAFXIDLH-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.91
Rot. Bonds11

About N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide

N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide (PubChem CID 142723110) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide.

Molecular Properties

Compound NameN-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide
PubChem CID142723110
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC NameN-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide
SMILESCC(=O)CCCCC(=O)N(C(=O)CCCCC(C)=O)C1CCCC(N)C1
InChIInChI=1S/C20H34N2O4/c1-15(23)8-3-5-12-19(25)22(18-11-7-10-17(21)14-18)20(26)13-6-4-9-16(2)24/h17-18H,3-14,21H2,1-2H3
InChIKeyMRXJQSDAFXIDLH-UHFFFAOYSA-N
XLogP2.91
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide?
The IUPAC name of N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide (CID 142723110) is N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide.
What is the SMILES notation for N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide?
The canonical SMILES for N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide is CC(=O)CCCCC(=O)N(C(=O)CCCCC(C)=O)C1CCCC(N)C1.
What is the InChIKey of N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide?
The InChIKey is MRXJQSDAFXIDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-15(23)8-3-5-12-19(25)22(18-11-7-10-17(21)14-18)20(26)13-6-4-9-16(2)24/h17-18H,3-14,21H2,1-2H3.
What are the key properties of N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide?
N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide has a molecular weight of 366.50 g/mol, XLogP of 2.91, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclohexyl)-6-oxo-N-(6-oxoheptanoyl)heptanamide is sourced from PubChem (CID 142723110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).