2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide

C16H16N2O4 — CID 87004950

IUPAC2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-22-14-7-4-5-12(9-14)10-16(19)17-11-13-6-2-3-8-15(13)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyRCYAXFWRKMYRIH-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.46
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide

2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide (PubChem CID 87004950) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
PubChem CID87004950
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
SMILESCOc1cccc(CC(=O)NCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-22-14-7-4-5-12(9-14)10-16(19)17-11-13-6-2-3-8-15(13)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyRCYAXFWRKMYRIH-UHFFFAOYSA-N
XLogP2.46
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60663527
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
3-methoxy-N-[(2-nitrophenyl)methyl]aniline
CID 28585602
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide
CID 87004965
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)methanamine;oxalic acid
CID 17367692
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide
CID 18155549

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide (CID 87004950) is 2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide is COc1cccc(CC(=O)NCc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide?
The InChIKey is RCYAXFWRKMYRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-14-7-4-5-12(9-14)10-16(19)17-11-13-6-2-3-8-15(13)18(20)21/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of 2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide?
2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide has a molecular weight of 300.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 87004950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).