2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide

C15H18N2O5 — CID 78765507

IUPAC2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)COc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C15H18N2O5/c1-4-8-16(9-5-2)15(18)11-22-14-7-6-12(21-3)10-13(14)17(19)20/h4-7,10H,1-2,8-9,11H2,3H3
InChIKeyTZZYVGTTYGGMQN-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.18
Rot. Bonds9

About 2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide

2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 78765507) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide
PubChem CID78765507
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)COc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C15H18N2O5/c1-4-8-16(9-5-2)15(18)11-22-14-7-6-12(21-3)10-13(14)17(19)20/h4-7,10H,1-2,8-9,11H2,3H3
InChIKeyTZZYVGTTYGGMQN-UHFFFAOYSA-N
XLogP2.18
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 87018691
3-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-4-nitrobenzoate
CID 9118651
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
2-[(4-methoxy-2-nitrophenoxy)methyl]prop-2-ene-1-thiol
CID 103073654
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9337841
(4-ethoxyphenyl) 2-(4-methoxy-2-nitrophenoxy)acetate
CID 8886693
N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide
CID 7473394
2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 52890111
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
N-ethyl-3-methoxy-4-nitro-N-prop-2-enylbenzamide
CID 84558856
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide (CID 78765507) is 2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)COc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is TZZYVGTTYGGMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-4-8-16(9-5-2)15(18)11-22-14-7-6-12(21-3)10-13(14)17(19)20/h4-7,10H,1-2,8-9,11H2,3H3.
What are the key properties of 2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide?
2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 306.32 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-nitrophenoxy)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 78765507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).