2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide

C7H16N4O2 — CID 77032674

IUPAC2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC(N)=NO
InChIInChI=1S/C7H16N4O2/c1-3-9-7(12)5(2)10-4-6(8)11-13/h5,10,13H,3-4H2,1-2H3,(H2,8,11)(H,9,12)
InChIKeyJHMBCULQDQJWGA-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.15
Rot. Bonds5

About 2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide

2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide (PubChem CID 77032674) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide
PubChem CID77032674
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC(N)=NO
InChIInChI=1S/C7H16N4O2/c1-3-9-7(12)5(2)10-4-6(8)11-13/h5,10,13H,3-4H2,1-2H3,(H2,8,11)(H,9,12)
InChIKeyJHMBCULQDQJWGA-UHFFFAOYSA-N
XLogP-1.15
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369866
N-propan-2-yl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103370131
N-(2-methylpropyl)-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103370134
N-ethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 113808016
(2E)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide
CID 89706364
(2Z)-N-(2-amino-2-oxoethyl)-2-(diaminomethylidenehydrazinylidene)propanamide
CID 123527962
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide
CID 14024502
N-[2-(Dimethylamino)ethyl]-3-(hydroxyamino)-3-iminopropanamide
CID 43155979
(3Z)-3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-hydroxyiminopropanamide
CID 43156014
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43374368
(3Z)-3-amino-N-(1-amino-1-oxopropan-2-yl)-3-hydroxyiminopropanamide
CID 43545817
(3Z)-N-(2-acetamidoethyl)-3-amino-3-hydroxyiminopropanamide
CID 43553028

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide (CID 77032674) is 2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)NCC(N)=NO.
What is the InChIKey of 2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide?
The InChIKey is JHMBCULQDQJWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-3-9-7(12)5(2)10-4-6(8)11-13/h5,10,13H,3-4H2,1-2H3,(H2,8,11)(H,9,12).
What are the key properties of 2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide?
2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide has a molecular weight of 188.23 g/mol, XLogP of -1.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-hydroxyiminoethyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 77032674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).