N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide

C14H22N4O2 — CID 77027007

IUPACN-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNCCCC(N)=NO)cc1
InChIInChI=1S/C14H22N4O2/c1-11-4-6-12(7-5-11)14(19)17-10-9-16-8-2-3-13(15)18-20/h4-7,16,20H,2-3,8-10H2,1H3,(H2,15,18)(H,17,19)
InChIKeyFMISUDKMKAXIDV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.84
Rot. Bonds8

About N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide

N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide (PubChem CID 77027007) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide
PubChem CID77027007
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNCCCC(N)=NO)cc1
InChIInChI=1S/C14H22N4O2/c1-11-4-6-12(7-5-11)14(19)17-10-9-16-8-2-3-13(15)18-20/h4-7,16,20H,2-3,8-10H2,1H3,(H2,15,18)(H,17,19)
InChIKeyFMISUDKMKAXIDV-UHFFFAOYSA-N
XLogP0.84
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.84
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 N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide 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-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide
CID 77026876
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220
N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide
CID 77026878
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678
1-(4-amino-4-hydroxyiminobutyl)-3-(4-methylphenyl)urea
CID 76953357
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-2-(2,5-dimethylphenyl)acetamide
CID 55102069
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
N-[2-(2-cyanoethylamino)ethyl]-4-methylbenzamide
CID 54880736

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide (CID 77027007) is N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNCCCC(N)=NO)cc1.
What is the InChIKey of N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is FMISUDKMKAXIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-4-6-12(7-5-11)14(19)17-10-9-16-8-2-3-13(15)18-20/h4-7,16,20H,2-3,8-10H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 278.36 g/mol, XLogP of 0.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 77027007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).