4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide

C22H21NO2 — CID 8866306

IUPAC4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
SMILESC[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-16(17-7-3-2-4-8-17)23-22(25)14-13-21(24)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15-16H,13-14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyBQVSOHOQLUPSBY-MRXNPFEDSA-N
MW331.42 g/mol
LogP4.68
Rot. Bonds6

About 4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide

4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide (PubChem CID 8866306) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
PubChem CID8866306
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
SMILESC[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-16(17-7-3-2-4-8-17)23-22(25)14-13-21(24)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15-16H,13-14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyBQVSOHOQLUPSBY-MRXNPFEDSA-N
XLogP4.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one
CID 70926564
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 9092058
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 134045511
N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056250
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
4-phenyl-N-[(1R)-1-phenylethyl]pent-4-enamide
CID 101165236
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide?
The IUPAC name of 4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide (CID 8866306) is 4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide.
What is the SMILES notation for 4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide?
The canonical SMILES for 4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide is C[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide?
The InChIKey is BQVSOHOQLUPSBY-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16(17-7-3-2-4-8-17)23-22(25)14-13-21(24)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15-16H,13-14H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide?
4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide has a molecular weight of 331.42 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide is sourced from PubChem (CID 8866306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).