N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

C19H29NO2 — CID 111662301

IUPACN-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCCCC(CCO)CNC(=O)C1(C)CCCc2ccccc21
InChIInChI=1S/C19H29NO2/c1-3-7-15(11-13-21)14-20-18(22)19(2)12-6-9-16-8-4-5-10-17(16)19/h4-5,8,10,15,21H,3,6-7,9,11-14H2,1-2H3,(H,20,22)
InChIKeyWVNGTZKMOOMDQO-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.20
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 111662301) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID111662301
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCCCC(CCO)CNC(=O)C1(C)CCCc2ccccc21
InChIInChI=1S/C19H29NO2/c1-3-7-15(11-13-21)14-20-18(22)19(2)12-6-9-16-8-4-5-10-17(16)19/h4-5,8,10,15,21H,3,6-7,9,11-14H2,1-2H3,(H,20,22)
InChIKeyWVNGTZKMOOMDQO-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 111662301) is N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide is CCCC(CCO)CNC(=O)C1(C)CCCc2ccccc21.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is WVNGTZKMOOMDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-7-15(11-13-21)14-20-18(22)19(2)12-6-9-16-8-4-5-10-17(16)19/h4-5,8,10,15,21H,3,6-7,9,11-14H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 111662301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).