3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide

C17H25N3O3 — CID 71858402

IUPAC3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CN(C(=O)Nc2ccccc2OCC(C)C)C1
InChIInChI=1S/C17H25N3O3/c1-4-18-16(21)13-9-20(10-13)17(22)19-14-7-5-6-8-15(14)23-11-12(2)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyDONQYYKRNXVPOS-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.32
Rot. Bonds6

About 3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide

3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide (PubChem CID 71858402) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide
PubChem CID71858402
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CN(C(=O)Nc2ccccc2OCC(C)C)C1
InChIInChI=1S/C17H25N3O3/c1-4-18-16(21)13-9-20(10-13)17(22)19-14-7-5-6-8-15(14)23-11-12(2)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyDONQYYKRNXVPOS-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(2,2-difluoroethoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102580
4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 60928509
(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
CID 93360502
(3aR,7aR)-N-[2-(2-methylpropoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 100705765
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
3-(methoxymethyl)-N-(2-propoxyphenyl)azetidine-1-carboxamide
CID 126831370
N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 71849484

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide (CID 71858402) is 3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide is CCNC(=O)C1CN(C(=O)Nc2ccccc2OCC(C)C)C1.
What is the InChIKey of 3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide?
The InChIKey is DONQYYKRNXVPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-18-16(21)13-9-20(10-13)17(22)19-14-7-5-6-8-15(14)23-11-12(2)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide?
3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-[2-(2-methylpropoxy)phenyl]azetidine-1,3-dicarboxamide is sourced from PubChem (CID 71858402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).