N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C22H27NO3 — CID 126443399

IUPACN-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccc(OC)cc2C)cc1
InChIInChI=1S/C22H27NO3/c1-4-23(15-20-6-5-13-26-20)22(24)18-9-7-17(8-10-18)21-12-11-19(25-3)14-16(21)2/h7-12,14,20H,4-6,13,15H2,1-3H3/t20-/m1/s1
InChIKeyLREVNYMERUPRCF-HXUWFJFHSA-N
MW353.46 g/mol
LogP4.31
Rot. Bonds6

About N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide

N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 126443399) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID126443399
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccc(OC)cc2C)cc1
InChIInChI=1S/C22H27NO3/c1-4-23(15-20-6-5-13-26-20)22(24)18-9-7-17(8-10-18)21-12-11-19(25-3)14-16(21)2/h7-12,14,20H,4-6,13,15H2,1-3H3/t20-/m1/s1
InChIKeyLREVNYMERUPRCF-HXUWFJFHSA-N
XLogP4.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 118771065
methyl 3-[4-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]benzoate
CID 126432728
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45180353
N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide
CID 125165062
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93143277
4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 119060180
N-ethyl-4-(4-methylpiperazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95130462
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 126443399) is N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is CCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ccc(OC)cc2C)cc1.
What is the InChIKey of N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is LREVNYMERUPRCF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27NO3/c1-4-23(15-20-6-5-13-26-20)22(24)18-9-7-17(8-10-18)21-12-11-19(25-3)14-16(21)2/h7-12,14,20H,4-6,13,15H2,1-3H3/t20-/m1/s1.
What are the key properties of N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 353.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 126443399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).