N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide

C19H23N3O2 — CID 122579435

IUPACN-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NO)cc1/N=C/CCc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-2-12-20-17-11-10-16(19(23)22-24)14-18(17)21-13-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,20,24H,2,6,9,12H2,1H3,(H,22,23)/b21-13+
InChIKeyQNJMRNXQJOFDDD-FYJGNVAPSA-N
MW325.41 g/mol
LogP3.96
Rot. Bonds8

About N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide

N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide (PubChem CID 122579435) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide
PubChem CID122579435
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NO)cc1/N=C/CCc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-2-12-20-17-11-10-16(19(23)22-24)14-18(17)21-13-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,20,24H,2,6,9,12H2,1H3,(H,22,23)/b21-13+
InChIKeyQNJMRNXQJOFDDD-FYJGNVAPSA-N
XLogP3.96
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide 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

N-ethyl-3-methyl-4-(2-phenylethylamino)benzamide
CID 60934976
N-methyl-2-(3-phenylpropylideneamino)aniline
CID 91498875
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089
N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide
CID 129309588
3-amino-N-cyclopropyl-4-(2-phenylethylamino)benzamide
CID 100622291
1-[3-amino-4-(2-phenylethylamino)phenyl]ethanone
CID 96664330
4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
CID 133167175
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-[2-(propylamino)phenyl]hydroxylamine
CID 175227965
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide?
The IUPAC name of N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide (CID 122579435) is N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide.
What is the SMILES notation for N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide?
The canonical SMILES for N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NO)cc1/N=C/CCc1ccccc1.
What is the InChIKey of N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide?
The InChIKey is QNJMRNXQJOFDDD-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-12-20-17-11-10-16(19(23)22-24)14-18(17)21-13-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,20,24H,2,6,9,12H2,1H3,(H,22,23)/b21-13+.
What are the key properties of N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide?
N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(3-phenylpropylideneamino)-4-(propylamino)benzamide is sourced from PubChem (CID 122579435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).