N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide

C22H26N2O3 — CID 55666606

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-17-8-10-19(11-9-17)23-20(25)16-24(2)21(26)22(12-14-27-15-13-22)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,23,25)
InChIKeyLNAIIMLWSMLPAY-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.14
Rot. Bonds5

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide (PubChem CID 55666606) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide
PubChem CID55666606
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-17-8-10-19(11-9-17)23-20(25)16-24(2)21(26)22(12-14-27-15-13-22)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,23,25)
InChIKeyLNAIIMLWSMLPAY-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 38007931
4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide
CID 115294277
3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide
CID 64892555
1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 110890174
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 31971501
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 56523257
N-[2-(2-bromoanilino)-2-oxoethyl]-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide
CID 55997964
4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100681565
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 55997965
2-methyl-3-[4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]phenyl]propanoic acid
CID 120541500
1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
CID 56523205
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide (CID 55666606) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)C2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is LNAIIMLWSMLPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-8-10-19(11-9-17)23-20(25)16-24(2)21(26)22(12-14-27-15-13-22)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,23,25).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 55666606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).