N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide

C22H26ClNO4 — CID 90623808

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCC(OC)c2ccccc2Cl)CCOCC1
InChIInChI=1S/C22H26ClNO4/c1-26-19-10-6-4-8-17(19)22(11-13-28-14-12-22)21(25)24-15-20(27-2)16-7-3-5-9-18(16)23/h3-10,20H,11-15H2,1-2H3,(H,24,25)
InChIKeyMHZAEYIEYDGSLS-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.90
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide (PubChem CID 90623808) has the molecular formula C22H26ClNO4 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide
PubChem CID90623808
Molecular FormulaC22H26ClNO4
Molecular Weight403.91 g/mol
Exact Mass403.16
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCC(OC)c2ccccc2Cl)CCOCC1
InChIInChI=1S/C22H26ClNO4/c1-26-19-10-6-4-8-17(19)22(11-13-28-14-12-22)21(25)24-15-20(27-2)16-7-3-5-9-18(16)23/h3-10,20H,11-15H2,1-2H3,(H,24,25)
InChIKeyMHZAEYIEYDGSLS-UHFFFAOYSA-N
XLogP3.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90623771
4-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 47717791
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437987
4-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxane-4-carboxamide
CID 90604708
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90598067
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 99876265
N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119628865
1-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)cyclopropane-1-carboxamide
CID 122276415
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598282

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide (CID 90623808) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide is COc1ccccc1C1(C(=O)NCC(OC)c2ccccc2Cl)CCOCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is MHZAEYIEYDGSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO4/c1-26-19-10-6-4-8-17(19)22(11-13-28-14-12-22)21(25)24-15-20(27-2)16-7-3-5-9-18(16)23/h3-10,20H,11-15H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 90623808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).