3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide

C17H25N3O4 — CID 146022969

IUPAC3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
SMILESCOc1cc(C(=O)NC2CN(C(N)=O)C2)ccc1OCCC(C)C
InChIInChI=1S/C17H25N3O4/c1-11(2)6-7-24-14-5-4-12(8-15(14)23-3)16(21)19-13-9-20(10-13)17(18)22/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H2,18,22)(H,19,21)
InChIKeyWXPLJGXMIIKCEA-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.61
Rot. Bonds7

About 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide

3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide (PubChem CID 146022969) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
PubChem CID146022969
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
SMILESCOc1cc(C(=O)NC2CN(C(N)=O)C2)ccc1OCCC(C)C
InChIInChI=1S/C17H25N3O4/c1-11(2)6-7-24-14-5-4-12(8-15(14)23-3)16(21)19-13-9-20(10-13)17(18)22/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H2,18,22)(H,19,21)
InChIKeyWXPLJGXMIIKCEA-UHFFFAOYSA-N
XLogP1.61
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55749510
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112790971
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
[3-methoxy-4-(3-methylbutoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579815
(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119376011
azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 112793153
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120603434
1-[3-methoxy-4-(3-methylbutoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353645

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide?
The IUPAC name of 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide (CID 146022969) is 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide.
What is the SMILES notation for 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide?
The canonical SMILES for 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide is COc1cc(C(=O)NC2CN(C(N)=O)C2)ccc1OCCC(C)C.
What is the InChIKey of 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide?
The InChIKey is WXPLJGXMIIKCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11(2)6-7-24-14-5-4-12(8-15(14)23-3)16(21)19-13-9-20(10-13)17(18)22/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H2,18,22)(H,19,21).
What are the key properties of 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide?
3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide is sourced from PubChem (CID 146022969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).