N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide

C21H26N2O — CID 54040083

IUPACN-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC(N(C)CCc1ccccc1)CC2
InChIInChI=1S/C21H26N2O/c1-16(24)22-20-10-8-18-9-11-21(15-19(18)14-20)23(2)13-12-17-6-4-3-5-7-17/h3-8,10,14,21H,9,11-13,15H2,1-2H3,(H,22,24)
InChIKeyLLRVNMASZQLIKQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.68
Rot. Bonds5

About N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide

N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 54040083) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
PubChem CID54040083
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC(N(C)CCc1ccccc1)CC2
InChIInChI=1S/C21H26N2O/c1-16(24)22-20-10-8-18-9-11-21(15-19(18)14-20)23(2)13-12-17-6-4-3-5-7-17/h3-8,10,14,21H,9,11-13,15H2,1-2H3,(H,22,24)
InChIKeyLLRVNMASZQLIKQ-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide (CID 54040083) is N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide is CC(=O)Nc1ccc2c(c1)CC(N(C)CCc1ccccc1)CC2.
What is the InChIKey of N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is LLRVNMASZQLIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(24)22-20-10-8-18-9-11-21(15-19(18)14-20)23(2)13-12-17-6-4-3-5-7-17/h3-8,10,14,21H,9,11-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 54040083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).