N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide

C18H27N3O3 — CID 108966311

IUPACN-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-12(2)10-11-19-16(23)18(4,5)17(24)21-15-8-6-14(7-9-15)20-13(3)22/h6-9,12H,10-11H2,1-5H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyFTBGOGXVUKHXHP-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.77
Rot. Bonds7

About N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide

N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide (PubChem CID 108966311) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
PubChem CID108966311
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-12(2)10-11-19-16(23)18(4,5)17(24)21-15-8-6-14(7-9-15)20-13(3)22/h6-9,12H,10-11H2,1-5H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyFTBGOGXVUKHXHP-UHFFFAOYSA-N
XLogP2.77
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide 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-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966265
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966294
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966271
1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139952
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966394
N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108957863
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide
CID 24609676
N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
CID 104936395
3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide
CID 113131124

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The IUPAC name of N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide (CID 108966311) is N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The canonical SMILES for N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide is CC(=O)Nc1ccc(NC(=O)C(C)(C)C(=O)NCCC(C)C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The InChIKey is FTBGOGXVUKHXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(2)10-11-19-16(23)18(4,5)17(24)21-15-8-6-14(7-9-15)20-13(3)22/h6-9,12H,10-11H2,1-5H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide has a molecular weight of 333.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide is sourced from PubChem (CID 108966311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).