3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide

C18H27N3O3 — CID 25497310

IUPAC3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCC(C)C(=O)NCCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C18H27N3O3/c1-12(2)15(22)19-9-10-20-16(23)13-7-6-8-14(11-13)21-17(24)18(3,4)5/h6-8,11-12H,9-10H2,1-5H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyLTRHMQYQAXVYMU-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.17
Rot. Bonds6

About 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide

3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide (PubChem CID 25497310) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
PubChem CID25497310
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCC(C)C(=O)NCCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C18H27N3O3/c1-12(2)15(22)19-9-10-20-16(23)13-7-6-8-14(11-13)21-17(24)18(3,4)5/h6-8,11-12H,9-10H2,1-5H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyLTRHMQYQAXVYMU-UHFFFAOYSA-N
XLogP2.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]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

3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689
3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
CID 134057626
N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55527750
3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35855226
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide
CID 120588231

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide (CID 25497310) is 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide is CC(C)C(=O)NCCNC(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The InChIKey is LTRHMQYQAXVYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(2)15(22)19-9-10-20-16(23)13-7-6-8-14(11-13)21-17(24)18(3,4)5/h6-8,11-12H,9-10H2,1-5H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide has a molecular weight of 333.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 25497310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).