N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide

C18H29N3O2 — CID 119072220

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cccc(C2CCN2C(=O)NCC(C)(C)CN(C)C)c1
InChIInChI=1S/C18H29N3O2/c1-18(2,13-20(3)4)12-19-17(22)21-10-9-16(21)14-7-6-8-15(11-14)23-5/h6-8,11,16H,9-10,12-13H2,1-5H3,(H,19,22)
InChIKeyPXZOAUOQWBBYQF-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.74
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide (PubChem CID 119072220) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
PubChem CID119072220
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cccc(C2CCN2C(=O)NCC(C)(C)CN(C)C)c1
InChIInChI=1S/C18H29N3O2/c1-18(2,13-20(3)4)12-19-17(22)21-10-9-16(21)14-7-6-8-15(11-14)23-5/h6-8,11,16H,9-10,12-13H2,1-5H3,(H,19,22)
InChIKeyPXZOAUOQWBBYQF-UHFFFAOYSA-N
XLogP2.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-ethylsulfanylethyl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 126443026
N-(5-hydroxy-4,4-dimethylpentyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 111755058
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97279560
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 119065873
3-methoxy-1-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97269461
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 97284050
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 118762203
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97277567
2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one
CID 97285089
(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124572131

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide (CID 119072220) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide is COc1cccc(C2CCN2C(=O)NCC(C)(C)CN(C)C)c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide?
The InChIKey is PXZOAUOQWBBYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,13-20(3)4)12-19-17(22)21-10-9-16(21)14-7-6-8-15(11-14)23-5/h6-8,11,16H,9-10,12-13H2,1-5H3,(H,19,22).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 119072220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).