2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide

C14H21N3O5 — CID 31013542

IUPAC2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide
SMILESCOCCN(CCOC)CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O5/c1-21-9-7-16(8-10-22-2)11-14(18)15-12-5-3-4-6-13(12)17(19)20/h3-6H,7-11H2,1-2H3,(H,15,18)
InChIKeyVARVCMFZAWNLTL-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.13
Rot. Bonds10

About 2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide

2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide (PubChem CID 31013542) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide
PubChem CID31013542
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide
SMILESCOCCN(CCOC)CC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O5/c1-21-9-7-16(8-10-22-2)11-14(18)15-12-5-3-4-6-13(12)17(19)20/h3-6H,7-11H2,1-2H3,(H,15,18)
InChIKeyVARVCMFZAWNLTL-UHFFFAOYSA-N
XLogP1.13
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[[2-(2-nitroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008367
2-[ethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 61012422
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(2-methoxyethoxy)-2-nitroaniline
CID 118026256
2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 103606726
2-[N-(2-hydroxyethyl)anilino]-N-(2-nitrophenyl)acetamide
CID 110877217
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide
CID 62014044
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
2-methoxy-N-(2-methoxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 78807389
2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
CID 158137216
N-(4-methoxy-2-nitrophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 27221763
N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9053004

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide (CID 31013542) is 2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide is COCCN(CCOC)CC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide?
The InChIKey is VARVCMFZAWNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-21-9-7-16(8-10-22-2)11-14(18)15-12-5-3-4-6-13(12)17(19)20/h3-6H,7-11H2,1-2H3,(H,15,18).
What are the key properties of 2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide?
2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 1.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 31013542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).