N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide

C27H25NO2 — CID 177202079

IUPACN-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide
SMILESCCc1cccc(CNC(=O)c2ccc3c(Oc4ccc(C)cc4)cccc3c2)c1
InChIInChI=1S/C27H25NO2/c1-3-20-6-4-7-21(16-20)18-28-27(29)23-12-15-25-22(17-23)8-5-9-26(25)30-24-13-10-19(2)11-14-24/h4-17H,3,18H2,1-2H3,(H,28,29)
InChIKeyRFDBDGFRMUVJKR-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.43
Rot. Bonds6

About N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide

N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide (PubChem CID 177202079) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide
PubChem CID177202079
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC NameN-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide
SMILESCCc1cccc(CNC(=O)c2ccc3c(Oc4ccc(C)cc4)cccc3c2)c1
InChIInChI=1S/C27H25NO2/c1-3-20-6-4-7-21(16-20)18-28-27(29)23-12-15-25-22(17-23)8-5-9-26(25)30-24-13-10-19(2)11-14-24/h4-17H,3,18H2,1-2H3,(H,28,29)
InChIKeyRFDBDGFRMUVJKR-UHFFFAOYSA-N
XLogP6.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[2-(nonylamino)-2-oxoethyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 177202072
N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
CID 155713246
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 176698652
3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 91172760
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
propane;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 163266760
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate
CID 21292340
4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319113

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide?
The IUPAC name of N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide (CID 177202079) is N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide?
The canonical SMILES for N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide is CCc1cccc(CNC(=O)c2ccc3c(Oc4ccc(C)cc4)cccc3c2)c1.
What is the InChIKey of N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide?
The InChIKey is RFDBDGFRMUVJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c1-3-20-6-4-7-21(16-20)18-28-27(29)23-12-15-25-22(17-23)8-5-9-26(25)30-24-13-10-19(2)11-14-24/h4-17H,3,18H2,1-2H3,(H,28,29).
What are the key properties of N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide?
N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)methyl]-5-(4-methylphenoxy)naphthalene-2-carboxamide is sourced from PubChem (CID 177202079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).