N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide

C26H31NO2 — CID 71059182

IUPACN,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc2ccccc2c1-c1cccc(COC(C)(C)C)c1
InChIInChI=1S/C26H31NO2/c1-6-27(7-2)25(28)23-16-15-20-12-8-9-14-22(20)24(23)21-13-10-11-19(17-21)18-29-26(3,4)5/h8-17H,6-7,18H2,1-5H3
InChIKeyJLDPIFNNGVEUDV-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.30
Rot. Bonds6

About N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide

N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide (PubChem CID 71059182) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide
PubChem CID71059182
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC NameN,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc2ccccc2c1-c1cccc(COC(C)(C)C)c1
InChIInChI=1S/C26H31NO2/c1-6-27(7-2)25(28)23-16-15-20-12-8-9-14-22(20)24(23)21-13-10-11-19(17-21)18-29-26(3,4)5/h8-17H,6-7,18H2,1-5H3
InChIKeyJLDPIFNNGVEUDV-UHFFFAOYSA-N
XLogP6.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide (CID 71059182) is N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide is CCN(CC)C(=O)c1ccc2ccccc2c1-c1cccc(COC(C)(C)C)c1.
What is the InChIKey of N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is JLDPIFNNGVEUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-6-27(7-2)25(28)23-16-15-20-12-8-9-14-22(20)24(23)21-13-10-11-19(17-21)18-29-26(3,4)5/h8-17H,6-7,18H2,1-5H3.
What are the key properties of N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide?
N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 71059182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).