N-(3-ethenoxypropyl)-4-(methylamino)butanamide

C10H20N2O2 — CID 61276188

IUPACN-(3-ethenoxypropyl)-4-(methylamino)butanamide
SMILESC=COCCCNC(=O)CCCNC
InChIInChI=1S/C10H20N2O2/c1-3-14-9-5-8-12-10(13)6-4-7-11-2/h3,11H,1,4-9H2,2H3,(H,12,13)
InChIKeyXCRPTUKAYXLKMI-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.65
Rot. Bonds9

About N-(3-ethenoxypropyl)-4-(methylamino)butanamide

N-(3-ethenoxypropyl)-4-(methylamino)butanamide (PubChem CID 61276188) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-4-(methylamino)butanamide
PubChem CID61276188
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(3-ethenoxypropyl)-4-(methylamino)butanamide
SMILESC=COCCCNC(=O)CCCNC
InChIInChI=1S/C10H20N2O2/c1-3-14-9-5-8-12-10(13)6-4-7-11-2/h3,11H,1,4-9H2,2H3,(H,12,13)
InChIKeyXCRPTUKAYXLKMI-UHFFFAOYSA-N
XLogP0.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3-ethenoxypropyl)-4-(methylamino)butanamide (CID 61276188) is N-(3-ethenoxypropyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-ethenoxypropyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3-ethenoxypropyl)-4-(methylamino)butanamide is C=COCCCNC(=O)CCCNC.
What is the InChIKey of N-(3-ethenoxypropyl)-4-(methylamino)butanamide?
The InChIKey is XCRPTUKAYXLKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-14-9-5-8-12-10(13)6-4-7-11-2/h3,11H,1,4-9H2,2H3,(H,12,13).
What are the key properties of N-(3-ethenoxypropyl)-4-(methylamino)butanamide?
N-(3-ethenoxypropyl)-4-(methylamino)butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-4-(methylamino)butanamide is sourced from PubChem (CID 61276188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).