N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide

C9H17N3O — CID 137106978

IUPACN-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide
SMILESCCC/C=N\N=C(\CC)NC(C)=O
InChIInChI=1S/C9H17N3O/c1-4-6-7-10-12-9(5-2)11-8(3)13/h7H,4-6H2,1-3H3,(H,11,12,13)/b10-7-
InChIKeyXOBKVDFJHQYXBO-YFHOEESVSA-N
MW183.25 g/mol
LogP1.72
Rot. Bonds4

About N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide

N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide (PubChem CID 137106978) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide
PubChem CID137106978
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide
SMILESCCC/C=N\N=C(\CC)NC(C)=O
InChIInChI=1S/C9H17N3O/c1-4-6-7-10-12-9(5-2)11-8(3)13/h7H,4-6H2,1-3H3,(H,11,12,13)/b10-7-
InChIKeyXOBKVDFJHQYXBO-YFHOEESVSA-N
XLogP1.72
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide?
The IUPAC name of N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide (CID 137106978) is N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide.
What is the SMILES notation for N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide?
The canonical SMILES for N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide is CCC/C=N\N=C(\CC)NC(C)=O.
What is the InChIKey of N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide?
The InChIKey is XOBKVDFJHQYXBO-YFHOEESVSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-6-7-10-12-9(5-2)11-8(3)13/h7H,4-6H2,1-3H3,(H,11,12,13)/b10-7-.
What are the key properties of N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide?
N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N-[(Z)-butylideneamino]-C-ethylcarbonimidoyl]acetamide is sourced from PubChem (CID 137106978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).