ethane;N-ethylnaphthalene-1-carboxamide;propane

C18H27NO — CID 144944456

IUPACethane;N-ethylnaphthalene-1-carboxamide;propane
SMILESCC.CCC.CCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C13H13NO.C3H8.C2H6/c1-2-14-13(15)12-9-5-7-10-6-3-4-8-11(10)12;1-3-2;1-2/h3-9H,2H2,1H3,(H,14,15);3H2,1-2H3;1-2H3
InChIKeyIHXQPIWFNGTGPP-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.03
Rot. Bonds2

About ethane;N-ethylnaphthalene-1-carboxamide;propane

ethane;N-ethylnaphthalene-1-carboxamide;propane (PubChem CID 144944456) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is ethane;N-ethylnaphthalene-1-carboxamide;propane.

Molecular Properties

Compound Nameethane;N-ethylnaphthalene-1-carboxamide;propane
PubChem CID144944456
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Nameethane;N-ethylnaphthalene-1-carboxamide;propane
SMILESCC.CCC.CCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C13H13NO.C3H8.C2H6/c1-2-14-13(15)12-9-5-7-10-6-3-4-8-11(10)12;1-3-2;1-2/h3-9H,2H2,1H3,(H,14,15);3H2,1-2H3;1-2H3
InChIKeyIHXQPIWFNGTGPP-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 4866653
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
N-(2-amino-2-oxoethyl)naphthalene-1-carboxamide
CID 4059241
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
N-ethyl-8-methylnaphthalene-1-carboxamide
CID 21338721
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
N-(2-chloro-3-ethylpentyl)naphthalene-1-carboxamide
CID 106287250
N-ethylnaphthalene-1-carboxamide;N-(2-phenylsulfanylphenyl)formamide
CID 176939034
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
N-[(E)-pent-3-enyl]naphthalene-1-carboxamide
CID 113236419

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylnaphthalene-1-carboxamide;propane?
The IUPAC name of ethane;N-ethylnaphthalene-1-carboxamide;propane (CID 144944456) is ethane;N-ethylnaphthalene-1-carboxamide;propane.
What is the SMILES notation for ethane;N-ethylnaphthalene-1-carboxamide;propane?
The canonical SMILES for ethane;N-ethylnaphthalene-1-carboxamide;propane is CC.CCC.CCNC(=O)c1cccc2ccccc12.
What is the InChIKey of ethane;N-ethylnaphthalene-1-carboxamide;propane?
The InChIKey is IHXQPIWFNGTGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C3H8.C2H6/c1-2-14-13(15)12-9-5-7-10-6-3-4-8-11(10)12;1-3-2;1-2/h3-9H,2H2,1H3,(H,14,15);3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethylnaphthalene-1-carboxamide;propane?
ethane;N-ethylnaphthalene-1-carboxamide;propane has a molecular weight of 273.42 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylnaphthalene-1-carboxamide;propane is sourced from PubChem (CID 144944456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).