3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one

C23H25NO — CID 3797

IUPAC3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one
SMILESCC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
InChIKeyJSASWRWALCMOQP-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.32
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one

3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one (PubChem CID 3797) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one
PubChem CID3797
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one
SMILESCC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
InChIKeyJSASWRWALCMOQP-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11243002
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CID 593461
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CID 36131
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CID 16725912
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
ZM 39923-hydrochloride
CID 176406
Substituted Benzamide Derivative, 2
CID 44236114
8-Acetyl-2-(dipropylamino)tetralin
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N,N-Diethyl-4-(naphthalen-1-yl-piperidin-4-ylidene-methyl)-benzamide
CID 10620902
Naphthalen-1-yl(piperidin-1-yl)methanone
CID 229390
N-cyclohexyl-N-methyl-4-phenylbenzamide
CID 1226772
[1-(4-Methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 2741902

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one (CID 3797) is 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one is CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one?
The InChIKey is JSASWRWALCMOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one?
3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one has a molecular weight of 331.46 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 3797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).