N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

C20H22ClNO3 — CID 1289148

IUPACN-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(Cl)c3)CCOCC2)cc1
InChIInChI=1S/C20H22ClNO3/c1-14-3-6-16(13-18(14)21)22-19(23)20(9-11-25-12-10-20)15-4-7-17(24-2)8-5-15/h3-8,13H,9-12H2,1-2H3,(H,22,23)
InChIKeyLMUSVIOMIFKVGU-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.34
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide (PubChem CID 1289148) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
PubChem CID1289148
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(Cl)c3)CCOCC2)cc1
InChIInChI=1S/C20H22ClNO3/c1-14-3-6-16(13-18(14)21)22-19(23)20(9-11-25-12-10-20)15-4-7-17(24-2)8-5-15/h3-8,13H,9-12H2,1-2H3,(H,22,23)
InChIKeyLMUSVIOMIFKVGU-UHFFFAOYSA-N
XLogP4.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 133245802
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen
CID 159727506
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
4-(4-methoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]oxane-4-carboxamide
CID 100687083
N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 2945958
N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
5-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]-2-methylbenzoic acid
CID 119255383
methyl 2-[(2R)-butan-2-yl]oxy-5-[[4-(4-methoxyphenyl)oxane-4-carbonyl]amino]benzoate
CID 100750107

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide (CID 1289148) is N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(C)c(Cl)c3)CCOCC2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is LMUSVIOMIFKVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-14-3-6-16(13-18(14)21)22-19(23)20(9-11-25-12-10-20)15-4-7-17(24-2)8-5-15/h3-8,13H,9-12H2,1-2H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 359.85 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 1289148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).