N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

C23H28ClNO5 — CID 133245802

IUPACN-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOCC(C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1Cl
InChIInChI=1S/C23H28ClNO5/c1-16(15-27-2)30-21-9-6-18(14-20(21)24)25-22(26)23(10-12-29-13-11-23)17-4-7-19(28-3)8-5-17/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,26)
InChIKeyOEHJCIDUFFNVOB-UHFFFAOYSA-N
MW433.93 g/mol
LogP4.45
Rot. Bonds8

About N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide (PubChem CID 133245802) has the molecular formula C23H28ClNO5 and a molecular weight of 433.93 g/mol. Its IUPAC name is N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
PubChem CID133245802
Molecular FormulaC23H28ClNO5
Molecular Weight433.93 g/mol
Exact Mass433.17
IUPAC NameN-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOCC(C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1Cl
InChIInChI=1S/C23H28ClNO5/c1-16(15-27-2)30-21-9-6-18(14-20(21)24)25-22(26)23(10-12-29-13-11-23)17-4-7-19(28-3)8-5-17/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,26)
InChIKeyOEHJCIDUFFNVOB-UHFFFAOYSA-N
XLogP4.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.93
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-4-(4-nitrophenyl)oxane-4-carboxamide
CID 100680482
N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-4-(3-methylphenyl)oxane-4-carboxamide
CID 100681443
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 100686861
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 133245793
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148
methyl 2-[(2R)-butan-2-yl]oxy-5-[[4-(4-methoxyphenyl)oxane-4-carbonyl]amino]benzoate
CID 100750107
N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxycyclopentane-1-carboxamide
CID 100703459
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100708558
N-(4-butan-2-yloxy-3-methylphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 133187939
methyl 2-[(2S)-butan-2-yl]oxy-5-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100749064

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide (CID 133245802) is N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide is COCC(C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is OEHJCIDUFFNVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO5/c1-16(15-27-2)30-21-9-6-18(14-20(21)24)25-22(26)23(10-12-29-13-11-23)17-4-7-19(28-3)8-5-17/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,26).
What are the key properties of N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 433.93 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 133245802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).