N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

C23H28ClNO4 — CID 90599978

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NCC(C)(OC)c3cccc(Cl)c3)CCOCC2)cc1
InChIInChI=1S/C23H28ClNO4/c1-22(28-3,18-5-4-6-19(24)15-18)16-25-21(26)23(11-13-29-14-12-23)17-7-9-20(27-2)10-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,25,26)
InChIKeyZOULPVBIIDGMJW-UHFFFAOYSA-N
MW417.93 g/mol
LogP4.07
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide (PubChem CID 90599978) has the molecular formula C23H28ClNO4 and a molecular weight of 417.93 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
PubChem CID90599978
Molecular FormulaC23H28ClNO4
Molecular Weight417.93 g/mol
Exact Mass417.17
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NCC(C)(OC)c3cccc(Cl)c3)CCOCC2)cc1
InChIInChI=1S/C23H28ClNO4/c1-22(28-3,18-5-4-6-19(24)15-18)16-25-21(26)23(11-13-29-14-12-23)17-7-9-20(27-2)10-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,25,26)
InChIKeyZOULPVBIIDGMJW-UHFFFAOYSA-N
XLogP4.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 47720644
4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881
N-[2-(3-chlorophenyl)-2-methoxypropyl]-3-cyclohexylpropanamide
CID 90599865
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(4-ethoxyphenyl)urea
CID 90600200
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 60566039

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide (CID 90599978) is N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide is COc1ccc(C2(C(=O)NCC(C)(OC)c3cccc(Cl)c3)CCOCC2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is ZOULPVBIIDGMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO4/c1-22(28-3,18-5-4-6-19(24)15-18)16-25-21(26)23(11-13-29-14-12-23)17-7-9-20(27-2)10-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,25,26).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 417.93 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 90599978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).