ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide

C16H38N2O2 — CID 145077051

IUPACethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide
SMILESCC.CC.CC.CCCNC(=O)CCCON=C(C)C
InChIInChI=1S/C10H20N2O2.3C2H6/c1-4-7-11-10(13)6-5-8-14-12-9(2)3;3*1-2/h4-8H2,1-3H3,(H,11,13);3*1-2H3
InChIKeyWIFHALKWBFBPCE-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.78
Rot. Bonds7

About ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide

ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide (PubChem CID 145077051) has the molecular formula C16H38N2O2 and a molecular weight of 290.49 g/mol. Its IUPAC name is ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide.

Molecular Properties

Compound Nameethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide
PubChem CID145077051
Molecular FormulaC16H38N2O2
Molecular Weight290.49 g/mol
Exact Mass290.29
IUPAC Nameethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide
SMILESCC.CC.CC.CCCNC(=O)CCCON=C(C)C
InChIInChI=1S/C10H20N2O2.3C2H6/c1-4-7-11-10(13)6-5-8-14-12-9(2)3;3*1-2/h4-8H2,1-3H3,(H,11,13);3*1-2H3
InChIKeyWIFHALKWBFBPCE-UHFFFAOYSA-N
XLogP4.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-(propan-2-ylideneamino)oxy-N-propylpropanamide
CID 145076855
ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide
CID 145076834
N,N'-dipropyldecanediamide
CID 102239298
ethane;N-propylheptanamide
CID 145289188
3-[2-[2-[[2-(propan-2-ylideneamino)oxyacetyl]amino]ethoxy]ethoxy]-N-propylpropanamide
CID 176948727
12-oxo-N-propyltridecanamide
CID 135223938
ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide
CID 145076852
6-acetamido-N-propylhexanamide
CID 60654879
sodium;hydride;N-propyldodecanamide
CID 172999662
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide
CID 145076515
8-oxo-N-propyldecanamide
CID 156819961

Frequently Asked Questions

What is the IUPAC name of ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide?
The IUPAC name of ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide (CID 145077051) is ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide.
What is the SMILES notation for ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide?
The canonical SMILES for ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide is CC.CC.CC.CCCNC(=O)CCCON=C(C)C.
What is the InChIKey of ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide?
The InChIKey is WIFHALKWBFBPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.3C2H6/c1-4-7-11-10(13)6-5-8-14-12-9(2)3;3*1-2/h4-8H2,1-3H3,(H,11,13);3*1-2H3.
What are the key properties of ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide?
ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide has a molecular weight of 290.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(propan-2-ylideneamino)oxy-N-propylbutanamide is sourced from PubChem (CID 145077051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).