N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide

C10H21N3O3 — CID 77037878

IUPACN-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
SMILESCCOCCC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C10H21N3O3/c1-4-16-6-5-10(14)13(8(2)3)7-9(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyVEVSLVNACVEGRI-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.40
Rot. Bonds7

About N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide

N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide (PubChem CID 77037878) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
PubChem CID77037878
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
SMILESCCOCCC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C10H21N3O3/c1-4-16-6-5-10(14)13(8(2)3)7-9(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyVEVSLVNACVEGRI-UHFFFAOYSA-N
XLogP0.40
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
CID 77044667
N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
CID 77038056
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
CID 76946952
2-[4-ethoxybutanoyl(propan-2-yl)amino]acetic acid
CID 78980705
N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 77044659
4-[3-ethoxypropanoyl(propan-2-yl)amino]butanoic acid
CID 55091738
1-(2-amino-2-hydroxyiminoethyl)-1-propan-2-yl-3-propylurea
CID 77038006
2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76988819
2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
CID 119198563
1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea
CID 77038065
N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide
CID 77044875

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide (CID 77037878) is N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide is CCOCCC(=O)N(CC(N)=NO)C(C)C.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide?
The InChIKey is VEVSLVNACVEGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-4-16-6-5-10(14)13(8(2)3)7-9(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide?
N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide is sourced from PubChem (CID 77037878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).