N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide

C16H23N3O — CID 137037339

IUPACN-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide
SMILES[H]/N=C(/C/C(=N\c1ccccc1C)NC(C)=O)C(C)(C)C
InChIInChI=1S/C16H23N3O/c1-11-8-6-7-9-13(11)19-15(18-12(2)20)10-14(17)16(3,4)5/h6-9,17H,10H2,1-5H3,(H,18,19,20)/b17-14-
InChIKeyDXJZNQLMTAWGIY-VKAVYKQESA-N
MW273.38 g/mol
LogP3.62
Rot. Bonds3

About N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide

N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide (PubChem CID 137037339) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide.

Molecular Properties

Compound NameN-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide
PubChem CID137037339
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide
SMILES[H]/N=C(/C/C(=N\c1ccccc1C)NC(C)=O)C(C)(C)C
InChIInChI=1S/C16H23N3O/c1-11-8-6-7-9-13(11)19-15(18-12(2)20)10-14(17)16(3,4)5/h6-9,17H,10H2,1-5H3,(H,18,19,20)/b17-14-
InChIKeyDXJZNQLMTAWGIY-VKAVYKQESA-N
XLogP3.62
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.62
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'}

Analyze N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide 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

2-chloro-N-[C-(2-imino-3,3-dimethylbutyl)-N-(4-methylphenyl)carbonimidoyl]acetamide
CID 136624216
methyl 3-(2-methylphenyl)iminobutanoate
CID 54292999
ethane;N-(2-methylphenyl)butan-2-imine
CID 142132579
acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
ethane;ethyl 3-ethoxy-3-(2-methylphenyl)iminopropanoate
CID 143167011
N-amino-2-chloro-3-imino-N'-(2-methylphenyl)propanimidamide
CID 123499429
4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]benzenesulfinic acid
CID 166990725
tert-butyl N-(2-methylphenyl)iminocarbamate
CID 45158398
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
N-[2-(diaminomethylideneamino)-6-methylphenyl]acetamide
CID 174333804
4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide
CID 18709549
5,5,5-trifluoro-4-imino-2-(2-propan-2-yloxyphenyl)iminopentanoic acid
CID 90848988

Frequently Asked Questions

What is the IUPAC name of N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide?
The IUPAC name of N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide (CID 137037339) is N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide.
What is the SMILES notation for N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide?
The canonical SMILES for N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide is [H]/N=C(/C/C(=N\c1ccccc1C)NC(C)=O)C(C)(C)C.
What is the InChIKey of N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide?
The InChIKey is DXJZNQLMTAWGIY-VKAVYKQESA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-8-6-7-9-13(11)19-15(18-12(2)20)10-14(17)16(3,4)5/h6-9,17H,10H2,1-5H3,(H,18,19,20)/b17-14-.
What are the key properties of N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide?
N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-(2-imino-3,3-dimethylbutyl)-N-(2-methylphenyl)carbonimidoyl]acetamide is sourced from PubChem (CID 137037339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).