4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide

C19H25NO5 — CID 132565438

IUPAC4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C(C)C)C(C)C)c(/C=C/C2COC(=O)O2)c1
InChIInChI=1S/C19H25NO5/c1-12(2)20(13(3)4)18(21)17-9-8-15(23-5)10-14(17)6-7-16-11-24-19(22)25-16/h6-10,12-13,16H,11H2,1-5H3/b7-6+
InChIKeyDXKJZXHXBAOKRF-VOTSOKGWSA-N
MW347.41 g/mol
LogP3.50
Rot. Bonds6

About 4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide

4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 132565438) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide
PubChem CID132565438
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C(C)C)C(C)C)c(/C=C/C2COC(=O)O2)c1
InChIInChI=1S/C19H25NO5/c1-12(2)20(13(3)4)18(21)17-9-8-15(23-5)10-14(17)6-7-16-11-24-19(22)25-16/h6-10,12-13,16H,11H2,1-5H3/b7-6+
InChIKeyDXKJZXHXBAOKRF-VOTSOKGWSA-N
XLogP3.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-Propylbutyl)-1,3-benzodioxole-5-carboxamide
CID 22831877
8-(4-Methoxybenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242064
N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
CID 2813904
N,N-Diethyl-3,4-methylenedioxybenzamide
CID 27480
N-Methyl-N-(phenylmethyl)-1,3-benzodioxole-5-carboxamide
CID 654191
6-Methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
Ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
4-[5-(1,4-dioxaspiro[4.5]decan-8-yl)pentoxy]-N,N-dimethylbenzamide
CID 145971825
N-benzyl-N-isopropyl-1,3-benzodioxole-5-carboxamide
CID 2813483
Pyrrolidine, 1-(4-methoxybenzoyl)-
CID 795550
N,N-dipropyl-1,3-benzodioxole-5-carboxamide
CID 840102
4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester
CID 10639329

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide (CID 132565438) is 4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide is COc1ccc(C(=O)N(C(C)C)C(C)C)c(/C=C/C2COC(=O)O2)c1.
What is the InChIKey of 4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is DXKJZXHXBAOKRF-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H25NO5/c1-12(2)20(13(3)4)18(21)17-9-8-15(23-5)10-14(17)6-7-16-11-24-19(22)25-16/h6-10,12-13,16H,11H2,1-5H3/b7-6+.
What are the key properties of 4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide?
4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 347.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-2-(2-oxo-1,3-dioxolan-4-yl)ethenyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 132565438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).