N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide

C20H38N2O2 — CID 137474144

IUPACN-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide
SMILESC=C(CCCCC)NC(CCCCNC(=O)CCCCC)C(C)=O
InChIInChI=1S/C20H38N2O2/c1-5-7-9-13-17(3)22-19(18(4)23)14-11-12-16-21-20(24)15-10-8-6-2/h19,22H,3,5-16H2,1-2,4H3,(H,21,24)
InChIKeyDWHVXDXJRUEMQR-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.49
Rot. Bonds16

About N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide

N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide (PubChem CID 137474144) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide.

Molecular Properties

Compound NameN-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide
PubChem CID137474144
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC NameN-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide
SMILESC=C(CCCCC)NC(CCCCNC(=O)CCCCC)C(C)=O
InChIInChI=1S/C20H38N2O2/c1-5-7-9-13-17(3)22-19(18(4)23)14-11-12-16-21-20(24)15-10-8-6-2/h19,22H,3,5-16H2,1-2,4H3,(H,21,24)
InChIKeyDWHVXDXJRUEMQR-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide?
The IUPAC name of N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide (CID 137474144) is N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide.
What is the SMILES notation for N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide?
The canonical SMILES for N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide is C=C(CCCCC)NC(CCCCNC(=O)CCCCC)C(C)=O.
What is the InChIKey of N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide?
The InChIKey is DWHVXDXJRUEMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-5-7-9-13-17(3)22-19(18(4)23)14-11-12-16-21-20(24)15-10-8-6-2/h19,22H,3,5-16H2,1-2,4H3,(H,21,24).
What are the key properties of N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide?
N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide has a molecular weight of 338.54 g/mol, XLogP of 4.49, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hept-1-en-2-ylamino)-6-oxoheptyl]hexanamide is sourced from PubChem (CID 137474144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).