N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide

C21H21NO — CID 171616627

IUPACN-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide
SMILESCC(=O)NCC[C@H](c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H21NO/c1-16(23)22-15-14-20(17-8-3-2-4-9-17)21-13-7-11-18-10-5-6-12-19(18)21/h2-13,20H,14-15H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyPOLZSQCUGGRDLG-HXUWFJFHSA-N
MW303.41 g/mol
LogP4.50
Rot. Bonds5

About N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide

N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide (PubChem CID 171616627) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide
PubChem CID171616627
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC NameN-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide
SMILESCC(=O)NCC[C@H](c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H21NO/c1-16(23)22-15-14-20(17-8-3-2-4-9-17)21-13-7-11-18-10-5-6-12-19(18)21/h2-13,20H,14-15H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyPOLZSQCUGGRDLG-HXUWFJFHSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-acetamido-N-[(R)-naphthalen-1-yl(phenyl)methyl]propanamide
CID 95620334
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-(3,3-diphenylpropyl)-2-naphthalen-1-ylacetamide
CID 7935580
1-(3-methylsulfanyl-1-phenylpropyl)naphthalene
CID 91090782
N-(3,3-diphenylpropyl)-3-methylbut-2-enamide
CID 30707802
ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
CID 71517486
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide?
The IUPAC name of N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide (CID 171616627) is N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide.
What is the SMILES notation for N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide?
The canonical SMILES for N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide is CC(=O)NCC[C@H](c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide?
The InChIKey is POLZSQCUGGRDLG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21NO/c1-16(23)22-15-14-20(17-8-3-2-4-9-17)21-13-7-11-18-10-5-6-12-19(18)21/h2-13,20H,14-15H2,1H3,(H,22,23)/t20-/m1/s1.
What are the key properties of N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide?
N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide is sourced from PubChem (CID 171616627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).