N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide

C18H29N3O2 — CID 122571233

IUPACN-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
SMILESCCCC(CNC(=O)N1CC(Oc2cccc(C)c2)C1)N(C)C
InChIInChI=1S/C18H29N3O2/c1-5-7-15(20(3)4)11-19-18(22)21-12-17(13-21)23-16-9-6-8-14(2)10-16/h6,8-10,15,17H,5,7,11-13H2,1-4H3,(H,19,22)
InChIKeyMWRMWLCDVAXYQP-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide

N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide (PubChem CID 122571233) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
PubChem CID122571233
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
SMILESCCCC(CNC(=O)N1CC(Oc2cccc(C)c2)C1)N(C)C
InChIInChI=1S/C18H29N3O2/c1-5-7-15(20(3)4)11-19-18(22)21-12-17(13-21)23-16-9-6-8-14(2)10-16/h6,8-10,15,17H,5,7,11-13H2,1-4H3,(H,19,22)
InChIKeyMWRMWLCDVAXYQP-UHFFFAOYSA-N
XLogP2.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenoxy)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]azetidine-1-carboxamide
CID 121495362
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122556550
N-[2-(dimethylamino)ethyl]-3-(3-methylphenoxy)pyrrolidine-1-carboxamide;oxalic acid
CID 159475474
3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide
CID 125446145
N-[2-(diethylamino)ethyl]-3-(3-methylphenoxy)pyrrolidine-1-carboxamide;oxalic acid
CID 158715651
3-(3-bromophenoxy)-N-prop-2-ynylazetidine-1-carboxamide
CID 15053449
3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide
CID 142041041
(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
CID 97025727
N-(5-acetyl-2-methoxyphenyl)-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 72891993
2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one
CID 131900131
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide
CID 23558809

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide (CID 122571233) is N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide is CCCC(CNC(=O)N1CC(Oc2cccc(C)c2)C1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide?
The InChIKey is MWRMWLCDVAXYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-7-15(20(3)4)11-19-18(22)21-12-17(13-21)23-16-9-6-8-14(2)10-16/h6,8-10,15,17H,5,7,11-13H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide?
N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide is sourced from PubChem (CID 122571233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).