(2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide

C23H28N2O2 — CID 8858993

IUPAC(2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H28N2O2/c1-15(20-9-8-19-6-4-5-7-21(19)14-20)24-16(2)23(27)25-22-12-10-18(11-13-22)17(3)26/h8-16,24H,4-7H2,1-3H3,(H,25,27)/t15-,16-/m1/s1
InChIKeyNDIGFDSSTUYACH-HZPDHXFCSA-N
MW364.49 g/mol
LogP4.45
Rot. Bonds6

About (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide

(2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide (PubChem CID 8858993) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
PubChem CID8858993
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H28N2O2/c1-15(20-9-8-19-6-4-5-7-21(19)14-20)24-16(2)23(27)25-22-12-10-18(11-13-22)17(3)26/h8-16,24H,4-7H2,1-3H3,(H,25,27)/t15-,16-/m1/s1
InChIKeyNDIGFDSSTUYACH-HZPDHXFCSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide with MolForge

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Related Compounds

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859207
(2R)-N-carbamoyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859233
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535455
N-[4-[[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 94501255
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868681
1-(4-bromophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108869222
N-(4-carbamimidoylphenyl)-2-phenyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanediamide
CID 59110644
(2S)-N-(4-acetylphenyl)-2-(benzhydrylamino)propanamide
CID 7516109
(2R)-N-(4-acetylphenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 8918884

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide (CID 8858993) is (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide?
The InChIKey is NDIGFDSSTUYACH-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15(20-9-8-19-6-4-5-7-21(19)14-20)24-16(2)23(27)25-22-12-10-18(11-13-22)17(3)26/h8-16,24H,4-7H2,1-3H3,(H,25,27)/t15-,16-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide?
(2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide has a molecular weight of 364.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide is sourced from PubChem (CID 8858993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).