N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide

C12H24N2O2 — CID 61273888

IUPACN-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide
SMILESC=COCCCNC(=O)CCCNC(C)C
InChIInChI=1S/C12H24N2O2/c1-4-16-10-6-9-14-12(15)7-5-8-13-11(2)3/h4,11,13H,1,5-10H2,2-3H3,(H,14,15)
InChIKeyAZBALBSWSABNBY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.43
Rot. Bonds10

About N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide

N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide (PubChem CID 61273888) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide
PubChem CID61273888
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide
SMILESC=COCCCNC(=O)CCCNC(C)C
InChIInChI=1S/C12H24N2O2/c1-4-16-10-6-9-14-12(15)7-5-8-13-11(2)3/h4,11,13H,1,5-10H2,2-3H3,(H,14,15)
InChIKeyAZBALBSWSABNBY-UHFFFAOYSA-N
XLogP1.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.43
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-(propan-2-ylamino)butanamide?
The IUPAC name of N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide (CID 61273888) is N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide is C=COCCCNC(=O)CCCNC(C)C.
What is the InChIKey of N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is AZBALBSWSABNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-16-10-6-9-14-12(15)7-5-8-13-11(2)3/h4,11,13H,1,5-10H2,2-3H3,(H,14,15).
What are the key properties of N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide?
N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 61273888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).