2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide

C19H30N2O2 — CID 72885539

IUPAC2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCc1cccc(C(C(=O)N(C)CCC2CCOCC2)N(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-15-6-5-7-17(14-15)18(20(2)3)19(22)21(4)11-8-16-9-12-23-13-10-16/h5-7,14,16,18H,8-13H2,1-4H3
InChIKeyRJJBXVLDVTYYIP-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.87
Rot. Bonds6

About 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide

2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide (PubChem CID 72885539) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide
PubChem CID72885539
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCc1cccc(C(C(=O)N(C)CCC2CCOCC2)N(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-15-6-5-7-17(14-15)18(20(2)3)19(22)21(4)11-8-16-9-12-23-13-10-16/h5-7,14,16,18H,8-13H2,1-4H3
InChIKeyRJJBXVLDVTYYIP-UHFFFAOYSA-N
XLogP2.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119331843
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide
CID 50960712
(2R)-2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 97156551
3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea
CID 72849512
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115179520
2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 72849565
4-[3-bromo-2-(3-methylphenyl)propyl]oxane
CID 79423563
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410
3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181361
4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
CID 91768176
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylacetamide
CID 95122507
N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 62366566

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide (CID 72885539) is 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide is Cc1cccc(C(C(=O)N(C)CCC2CCOCC2)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide?
The InChIKey is RJJBXVLDVTYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-6-5-7-17(14-15)18(20(2)3)19(22)21(4)11-8-16-9-12-23-13-10-16/h5-7,14,16,18H,8-13H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide?
2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide is sourced from PubChem (CID 72885539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).