3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide

C16H25N3O2 — CID 76925880

IUPAC3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(Cc1ccccc1)C(N)=NO
InChIInChI=1S/C16H25N3O2/c1-3-10-19(11-4-2)16(20)14(15(17)18-21)12-13-8-6-5-7-9-13/h5-9,14,21H,3-4,10-12H2,1-2H3,(H2,17,18)
InChIKeyNKLMPJVYANVRMU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.24
Rot. Bonds8

About 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide

3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide (PubChem CID 76925880) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide
PubChem CID76925880
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(Cc1ccccc1)C(N)=NO
InChIInChI=1S/C16H25N3O2/c1-3-10-19(11-4-2)16(20)14(15(17)18-21)12-13-8-6-5-7-9-13/h5-9,14,21H,3-4,10-12H2,1-2H3,(H2,17,18)
InChIKeyNKLMPJVYANVRMU-UHFFFAOYSA-N
XLogP2.24
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide 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-amino-2-benzyl-N-ethyl-3-hydroxyimino-N-(2-methoxyethyl)propanamide
CID 76924969
3-amino-2-benzyl-N-butan-2-yl-N-ethyl-3-hydroxyiminopropanamide
CID 76926379
3-amino-N-(2-amino-2-oxoethyl)-2-benzyl-3-hydroxyimino-N-methylpropanamide
CID 76926817
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
3-phenyl-N,N-dipropyl-2-sulfanylpropanamide
CID 107019704
ethyl (2R)-2-benzyl-3-(dipentylamino)-3-oxopropanoate
CID 7438124
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide
CID 76925665
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide
CID 76943418
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61164512
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide?
The IUPAC name of 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide (CID 76925880) is 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide.
What is the SMILES notation for 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide?
The canonical SMILES for 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide is CCCN(CCC)C(=O)C(Cc1ccccc1)C(N)=NO.
What is the InChIKey of 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide?
The InChIKey is NKLMPJVYANVRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-10-19(11-4-2)16(20)14(15(17)18-21)12-13-8-6-5-7-9-13/h5-9,14,21H,3-4,10-12H2,1-2H3,(H2,17,18).
What are the key properties of 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide?
3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide is sourced from PubChem (CID 76925880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).