3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide

C11H24N4O2 — CID 77028304

IUPAC3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNCC(C)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-4-9(3)14-10(16)5-6-13-7-8(2)11(12)15-17/h8-9,13,17H,4-7H2,1-3H3,(H2,12,15)(H,14,16)
InChIKeySBMXGKJGIPAVKI-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.26
Rot. Bonds8

About 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide

3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide (PubChem CID 77028304) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide
PubChem CID77028304
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNCC(C)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-4-9(3)14-10(16)5-6-13-7-8(2)11(12)15-17/h8-9,13,17H,4-7H2,1-3H3,(H2,12,15)(H,14,16)
InChIKeySBMXGKJGIPAVKI-UHFFFAOYSA-N
XLogP0.26
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.26
H-Bond Donors ≤ 54
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'}

Analyze 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide 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

3-[(2-amino-2-hydroxyiminoethyl)amino]-N-butan-2-ylpropanamide
CID 77030584
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
3-[(5-amino-5-hydroxyiminopentyl)amino]-N-butan-2-ylpropanamide
CID 77028307
N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
CID 76892935
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
CID 62899086
N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
CID 77026293
N-butan-2-yl-3-(2-ethylsulfonylethylamino)propanamide
CID 54901013
N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide
CID 106989516
N-butan-2-yl-3-(2-phenylpropylamino)propanamide
CID 54893679
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925722
3-amino-N-butan-2-ylpropanamide
CID 16784988

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide (CID 77028304) is 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNCC(C)C(N)=NO.
What is the InChIKey of 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide?
The InChIKey is SBMXGKJGIPAVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-4-9(3)14-10(16)5-6-13-7-8(2)11(12)15-17/h8-9,13,17H,4-7H2,1-3H3,(H2,12,15)(H,14,16).
What are the key properties of 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide?
3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 0.26, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 77028304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).