3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide

C22H23N3O2 — CID 54809027

IUPAC3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)CNc2cccc3ccccc23)c1
InChIInChI=1S/C22H23N3O2/c1-15(2)24-22(27)17-9-5-10-18(13-17)25-21(26)14-23-20-12-6-8-16-7-3-4-11-19(16)20/h3-13,15,23H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyBBYWJAWPXJPUTM-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.03
Rot. Bonds6

About 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide

3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54809027) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54809027
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)CNc2cccc3ccccc23)c1
InChIInChI=1S/C22H23N3O2/c1-15(2)24-22(27)17-9-5-10-18(13-17)25-21(26)14-23-20-12-6-8-16-7-3-4-11-19(16)20/h3-13,15,23H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyBBYWJAWPXJPUTM-UHFFFAOYSA-N
XLogP4.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide 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-methoxyethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 54809231
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54813153
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833609
4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 60561506
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 54809082
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide (CID 54809027) is 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)CNc2cccc3ccccc23)c1.
What is the InChIKey of 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is BBYWJAWPXJPUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)24-22(27)17-9-5-10-18(13-17)25-21(26)14-23-20-12-6-8-16-7-3-4-11-19(16)20/h3-13,15,23H,14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide?
3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54809027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).