N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide

C23H30N2O3 — CID 99082650

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCOCC2)cc1
InChIInChI=1S/C23H30N2O3/c1-18-4-6-19(7-5-18)23(12-15-27-16-13-23)22(26)24-20-8-10-21(11-9-20)28-17-14-25(2)3/h4-11H,12-17H2,1-3H3,(H,24,26)
InChIKeyFVBWHYBLMUMPJK-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.62
Rot. Bonds7

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide (PubChem CID 99082650) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
PubChem CID99082650
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCOCC2)cc1
InChIInChI=1S/C23H30N2O3/c1-18-4-6-19(7-5-18)23(12-15-27-16-13-23)22(26)24-20-8-10-21(11-9-20)28-17-14-25(2)3/h4-11H,12-17H2,1-3H3,(H,24,26)
InChIKeyFVBWHYBLMUMPJK-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100681565
N-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 100681752
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
CID 100782348
4-(3-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]oxane-4-carboxamide
CID 100680832
2-methyl-3-[4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]phenyl]propanoic acid
CID 120541500
4-[4-(2-methylpyrimidin-5-yl)phenyl]-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 67987918

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide (CID 99082650) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide is Cc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCOCC2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide?
The InChIKey is FVBWHYBLMUMPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18-4-6-19(7-5-18)23(12-15-27-16-13-23)22(26)24-20-8-10-21(11-9-20)28-17-14-25(2)3/h4-11H,12-17H2,1-3H3,(H,24,26).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 99082650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).