N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide

C10H21N3O3 — CID 76946924

IUPACN-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
SMILESCCOCCC(=O)N(CC)CCC(N)=NO
InChIInChI=1S/C10H21N3O3/c1-3-13(7-5-9(11)12-15)10(14)6-8-16-4-2/h15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyCSLHZDNCMVQEJC-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.40
Rot. Bonds8

About N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide

N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide (PubChem CID 76946924) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
PubChem CID76946924
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
SMILESCCOCCC(=O)N(CC)CCC(N)=NO
InChIInChI=1S/C10H21N3O3/c1-3-13(7-5-9(11)12-15)10(14)6-8-16-4-2/h15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyCSLHZDNCMVQEJC-UHFFFAOYSA-N
XLogP0.40
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
CID 54992414
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide
CID 55219793
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
CID 104982299
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015086
N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide
CID 76910488
1-(3-amino-3-hydroxyiminopropyl)-1,3-diethyl-3-methylurea
CID 79162393
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide
CID 77015678
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide
CID 103022071
N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
CID 77037878
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(2-aminoethyl)-N-ethyl-3-propoxypropanamide
CID 62688574
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
CID 54992509

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide (CID 76946924) is N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide is CCOCCC(=O)N(CC)CCC(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide?
The InChIKey is CSLHZDNCMVQEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-3-13(7-5-9(11)12-15)10(14)6-8-16-4-2/h15H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide?
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide is sourced from PubChem (CID 76946924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).