N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C24H30N2O2 — CID 9166700

IUPACN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCN(C)[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-26(2)22(19-9-4-3-5-10-19)17-25-24(28)15-14-23(27)21-13-12-18-8-6-7-11-20(18)16-21/h3-5,9-10,12-13,16,22H,6-8,11,14-15,17H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyVLFKFDDIMJNEED-QFIPXVFZSA-N
MW378.52 g/mol
LogP3.95
Rot. Bonds8

About N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 9166700) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID9166700
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCN(C)[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-26(2)22(19-9-4-3-5-10-19)17-25-24(28)15-14-23(27)21-13-12-18-8-6-7-11-20(18)16-21/h3-5,9-10,12-13,16,22H,6-8,11,14-15,17H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyVLFKFDDIMJNEED-QFIPXVFZSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide with MolForge

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Related Compounds

dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium
CID 9166718
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
N-[(2R)-2-(ethylamino)propyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 120653209
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide
CID 43048242
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
CID 94314016
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110301959
N,N-dimethyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 82121263
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
(2S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]pentanedioic acid
CID 108795688

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 9166700) is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is CN(C)[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is VLFKFDDIMJNEED-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-26(2)22(19-9-4-3-5-10-19)17-25-24(28)15-14-23(27)21-13-12-18-8-6-7-11-20(18)16-21/h3-5,9-10,12-13,16,22H,6-8,11,14-15,17H2,1-2H3,(H,25,28)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 378.52 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 9166700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).