1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea

C11H24N4O2 — CID 54988715

IUPAC1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea
SMILESCCCCNC(=O)N(CC)CC(C)/C(N)=N/O
InChIInChI=1S/C11H24N4O2/c1-4-6-7-13-11(16)15(5-2)8-9(3)10(12)14-17/h9,17H,4-8H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyNCDBYDFVHSBSND-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.20
Rot. Bonds7

About 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea

1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea (PubChem CID 54988715) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea.

Molecular Properties

Compound Name1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea
PubChem CID54988715
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea
SMILESCCCCNC(=O)N(CC)CC(C)/C(N)=N/O
InChIInChI=1S/C11H24N4O2/c1-4-6-7-13-11(16)15(5-2)8-9(3)10(12)14-17/h9,17H,4-8H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyNCDBYDFVHSBSND-UHFFFAOYSA-N
XLogP1.20
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.20
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'}

Analyze 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dimethyl-3-[2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]ethyl]urea
CID 103370108
1-(3-Amino-3-hydroxyimino-2-methylpropyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea
CID 104858941
1-(3-Amino-3-hydroxyiminopropyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea
CID 104858942
1-(3-Amino-3-hydroxyiminopropyl)-1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 104858945
1-(3-Amino-3-hydroxyimino-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 113463055
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-ethylurea
CID 54988616
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-tert-butyl-1-ethylurea
CID 54988667
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclohexyl-1-methylurea
CID 54991840
1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-propan-2-ylurea
CID 54996771
1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-propan-2-ylurea
CID 54996772
1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-tert-butyl-1-cyclopropylurea
CID 54997787
1-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-butyl-1-cyclopropylurea
CID 54997788

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea?
The IUPAC name of 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea (CID 54988715) is 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea.
What is the SMILES notation for 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea?
The canonical SMILES for 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea is CCCCNC(=O)N(CC)CC(C)/C(N)=N/O.
What is the InChIKey of 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea?
The InChIKey is NCDBYDFVHSBSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-4-6-7-13-11(16)15(5-2)8-9(3)10(12)14-17/h9,17H,4-8H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea?
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea has a molecular weight of 244.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-butyl-1-ethylurea is sourced from PubChem (CID 54988715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).