7-amino-N-(2-but-3-enoxyethyl)heptanamide

C13H26N2O2 — CID 114183717

IUPAC7-amino-N-(2-but-3-enoxyethyl)heptanamide
SMILESC=CCCOCCNC(=O)CCCCCCN
InChIInChI=1S/C13H26N2O2/c1-2-3-11-17-12-10-15-13(16)8-6-4-5-7-9-14/h2H,1,3-12,14H2,(H,15,16)
InChIKeyJFESDQCSBINOGT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.60
Rot. Bonds12

About 7-amino-N-(2-but-3-enoxyethyl)heptanamide

7-amino-N-(2-but-3-enoxyethyl)heptanamide (PubChem CID 114183717) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 7-amino-N-(2-but-3-enoxyethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-but-3-enoxyethyl)heptanamide
PubChem CID114183717
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name7-amino-N-(2-but-3-enoxyethyl)heptanamide
SMILESC=CCCOCCNC(=O)CCCCCCN
InChIInChI=1S/C13H26N2O2/c1-2-3-11-17-12-10-15-13(16)8-6-4-5-7-9-14/h2H,1,3-12,14H2,(H,15,16)
InChIKeyJFESDQCSBINOGT-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-but-3-enoxyethylamino)-6-oxohexanoic acid
CID 106394786
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
6-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]hexanamide
CID 106236522
16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
CID 145370854
N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
CID 151761639
4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide
CID 106398026
N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
CID 71392102
2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
CID 79457859
2-but-3-enoxyethylurea
CID 103852774
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
CID 106310658
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106
N-(3-aminopropyl)-4-prop-2-enoxybutanamide
CID 119406893

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-but-3-enoxyethyl)heptanamide?
The IUPAC name of 7-amino-N-(2-but-3-enoxyethyl)heptanamide (CID 114183717) is 7-amino-N-(2-but-3-enoxyethyl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-but-3-enoxyethyl)heptanamide?
The canonical SMILES for 7-amino-N-(2-but-3-enoxyethyl)heptanamide is C=CCCOCCNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(2-but-3-enoxyethyl)heptanamide?
The InChIKey is JFESDQCSBINOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-11-17-12-10-15-13(16)8-6-4-5-7-9-14/h2H,1,3-12,14H2,(H,15,16).
What are the key properties of 7-amino-N-(2-but-3-enoxyethyl)heptanamide?
7-amino-N-(2-but-3-enoxyethyl)heptanamide has a molecular weight of 242.36 g/mol, XLogP of 1.60, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-but-3-enoxyethyl)heptanamide is sourced from PubChem (CID 114183717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).