2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C21H25N3O2 — CID 42911776

IUPAC2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(C)C(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-14(22-17-10-12-18(13-11-17)23-15(2)25)21(26)24-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-14,20,22H,5,7,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLECGDLIFOOXVPA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.64
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 42911776) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID42911776
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(C)C(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-14(22-17-10-12-18(13-11-17)23-15(2)25)21(26)24-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-14,20,22H,5,7,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyLECGDLIFOOXVPA-UHFFFAOYSA-N
XLogP3.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
CID 42987280
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8780128
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8780129
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832813
(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 61155981
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808312
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
1-(4-fluorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848239
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 42911776) is 2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CC(=O)Nc1ccc(NC(C)C(=O)NC2CCCc3ccccc32)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is LECGDLIFOOXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(22-17-10-12-18(13-11-17)23-15(2)25)21(26)24-20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-14,20,22H,5,7,9H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 42911776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).