4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide

C22H23N3O2 — CID 86976453

IUPAC4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide
SMILESCC(NC(C)c1cccc2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C22H23N3O2/c1-14(19-9-5-7-16-6-3-4-8-20(16)19)24-15(2)22(27)25-18-12-10-17(11-13-18)21(23)26/h3-15,24H,1-2H3,(H2,23,26)(H,25,27)
InChIKeySFFKDOXGYAIXQI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.62
Rot. Bonds6

About 4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide

4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide (PubChem CID 86976453) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide
PubChem CID86976453
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide
SMILESCC(NC(C)c1cccc2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C22H23N3O2/c1-14(19-9-5-7-16-6-3-4-8-20(16)19)24-15(2)22(27)25-18-12-10-17(11-13-18)21(23)26/h3-15,24H,1-2H3,(H2,23,26)(H,25,27)
InChIKeySFFKDOXGYAIXQI-UHFFFAOYSA-N
XLogP3.62
TPSA84.22 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 ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
CID 9397279
(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40800165
4-[[(2R)-2-(benzhydrylamino)propanoyl]amino]benzamide
CID 7971112
methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate
CID 8695474
N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
CID 112811629
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40710619
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
4-[2-(4-phenylanilino)propanoylamino]benzamide
CID 78667343
2-[1-(2-fluorophenyl)ethylamino]-N-naphthalen-2-ylpropanamide
CID 18289661
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468200
4-[2-(naphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 4532782
4-[[(2R)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]benzamide
CID 40645986

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide?
The IUPAC name of 4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide (CID 86976453) is 4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide.
What is the SMILES notation for 4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide?
The canonical SMILES for 4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide is CC(NC(C)c1cccc2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide?
The InChIKey is SFFKDOXGYAIXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14(19-9-5-7-16-6-3-4-8-20(16)19)24-15(2)22(27)25-18-12-10-17(11-13-18)21(23)26/h3-15,24H,1-2H3,(H2,23,26)(H,25,27).
What are the key properties of 4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide?
4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide is sourced from PubChem (CID 86976453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).