N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

C23H33NO — CID 122691815

IUPACN-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCCC1CC2CCC(NC(=O)C3(C)CCCc4ccccc43)C(C1)C2
InChIInChI=1S/C23H33NO/c1-3-16-13-17-10-11-21(19(14-16)15-17)24-22(25)23(2)12-6-8-18-7-4-5-9-20(18)23/h4-5,7,9,16-17,19,21H,3,6,8,10-15H2,1-2H3,(H,24,25)
InChIKeyNBXCAOHUFPCPDR-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.00
Rot. Bonds3

About N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 122691815) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID122691815
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC NameN-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCCC1CC2CCC(NC(=O)C3(C)CCCc4ccccc43)C(C1)C2
InChIInChI=1S/C23H33NO/c1-3-16-13-17-10-11-21(19(14-16)15-17)24-22(25)23(2)12-6-8-18-7-4-5-9-20(18)23/h4-5,7,9,16-17,19,21H,3,6,8,10-15H2,1-2H3,(H,24,25)
InChIKeyNBXCAOHUFPCPDR-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide with MolForge

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Related Compounds

1-methyl-N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 120557540
1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119449830
1-methyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119429829
N-[3-[[(2-chloroacetyl)amino]methyl]-3-phenylcyclobutyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 154875797
5-bromo-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 122691879
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 119621878
(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 110921317
(1R)-N-hydroxy-1-methyl-2,3-dihydroindene-1-carboxamide
CID 129027598
N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 111662301
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 120657959
1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
CID 124698143
2-[2-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242345

Frequently Asked Questions

What is the IUPAC name of N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 122691815) is N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide is CCC1CC2CCC(NC(=O)C3(C)CCCc4ccccc43)C(C1)C2.
What is the InChIKey of N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is NBXCAOHUFPCPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-3-16-13-17-10-11-21(19(14-16)15-17)24-22(25)23(2)12-6-8-18-7-4-5-9-20(18)23/h4-5,7,9,16-17,19,21H,3,6,8,10-15H2,1-2H3,(H,24,25).
What are the key properties of N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 339.52 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 122691815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).