1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea

C10H22N4O2 — CID 77038065

IUPAC1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea
SMILESCCCCNC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C10H22N4O2/c1-4-5-6-12-10(15)14(8(2)3)7-9(11)13-16/h8,16H,4-7H2,1-3H3,(H2,11,13)(H,12,15)
InChIKeyZICWLIVHZPUGBI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.95
Rot. Bonds6

About 1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea

1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea (PubChem CID 77038065) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea
PubChem CID77038065
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea
SMILESCCCCNC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C10H22N4O2/c1-4-5-6-12-10(15)14(8(2)3)7-9(11)13-16/h8,16H,4-7H2,1-3H3,(H2,11,13)(H,12,15)
InChIKeyZICWLIVHZPUGBI-UHFFFAOYSA-N
XLogP0.95
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
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': '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

1-(2-amino-2-hydroxyiminoethyl)-1-propan-2-yl-3-propylurea
CID 77038006
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
CID 77044667
1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-cyclopentylurea
CID 77044727
N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
CID 77038056
N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 77038182
2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide
CID 43156042
N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
CID 77037878
(2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839189
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
N-(2-amino-2-hydroxyiminoethyl)-4-fluoro-N-propan-2-ylbenzamide
CID 77044558
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea?
The IUPAC name of 1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea (CID 77038065) is 1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea?
The canonical SMILES for 1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea is CCCCNC(=O)N(CC(N)=NO)C(C)C.
What is the InChIKey of 1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea?
The InChIKey is ZICWLIVHZPUGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-4-5-6-12-10(15)14(8(2)3)7-9(11)13-16/h8,16H,4-7H2,1-3H3,(H2,11,13)(H,12,15).
What are the key properties of 1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea?
1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea has a molecular weight of 230.31 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea is sourced from PubChem (CID 77038065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).