N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide

C12H15N3O4 — CID 169466328

IUPACN-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide
SMILESCOc1cc(C=CCNC(C)=O)c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c1-8(16)14-5-3-4-9-6-10(19-2)7-11(12(9)13)15(17)18/h3-4,6-7H,5,13H2,1-2H3,(H,14,16)
InChIKeyVWDWWGRDYOWUPL-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.33
Rot. Bonds5

About N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide

N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide (PubChem CID 169466328) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide
PubChem CID169466328
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide
SMILESCOc1cc(C=CCNC(C)=O)c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c1-8(16)14-5-3-4-9-6-10(19-2)7-11(12(9)13)15(17)18/h3-4,6-7H,5,13H2,1-2H3,(H,14,16)
InChIKeyVWDWWGRDYOWUPL-UHFFFAOYSA-N
XLogP1.33
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[3-(2-amino-3-fluoro-5-nitrophenyl)prop-2-enyl]acetamide
CID 169466052
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466149
tert-butyl N-[3-(4-methoxy-2-nitrophenyl)prop-2-enyl]carbamate
CID 169468181
N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465555
N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169465711
N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466073
N-[3-(3-amino-2-nitrophenyl)prop-2-enyl]acetamide
CID 169465811
N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169466749
methyl 4-(2-amino-5-methoxy-3-nitrophenyl)but-3-ynoate
CID 170470352
N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
CID 169466523
N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide
CID 169465865
N-[3-(2-methyl-6-nitrophenyl)prop-2-enyl]acetamide
CID 169465901

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide (CID 169466328) is N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide is COc1cc(C=CCNC(C)=O)c(N)c([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide?
The InChIKey is VWDWWGRDYOWUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-8(16)14-5-3-4-9-6-10(19-2)7-11(12(9)13)15(17)18/h3-4,6-7H,5,13H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide?
N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide has a molecular weight of 265.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).