N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide

C12H17N3O4 — CID 60691812

IUPACN-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
SMILESCOCCNC(=O)CNCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O4/c1-19-7-6-14-12(16)9-13-8-10-2-4-11(5-3-10)15(17)18/h2-5,13H,6-9H2,1H3,(H,14,16)
InChIKeyBRSWHPGOOFVZHZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.45
Rot. Bonds8

About N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide

N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide (PubChem CID 60691812) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
PubChem CID60691812
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
SMILESCOCCNC(=O)CNCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O4/c1-19-7-6-14-12(16)9-13-8-10-2-4-11(5-3-10)15(17)18/h2-5,13H,6-9H2,1H3,(H,14,16)
InChIKeyBRSWHPGOOFVZHZ-UHFFFAOYSA-N
XLogP0.45
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263896
N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 43214518
1-(2-methoxyethyl)-2-methyl-3-[(4-nitrophenyl)methyl]guanidine
CID 110941216
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991
2-(2-methoxyethylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]acetamide;hydrochloride
CID 119752398
N-(2-methoxyethyl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]acetamide
CID 115575340
2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115651742
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115875961
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
1,3-bis(2-methoxyethyl)-2-[(4-nitrophenyl)methyl]guanidine
CID 111491810
2-amino-N-(2-methoxyethyl)-3-(4-nitrophenyl)propanamide;hydrochloride
CID 22491987

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide (CID 60691812) is N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide is COCCNC(=O)CNCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide?
The InChIKey is BRSWHPGOOFVZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-7-6-14-12(16)9-13-8-10-2-4-11(5-3-10)15(17)18/h2-5,13H,6-9H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide?
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide has a molecular weight of 267.28 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide is sourced from PubChem (CID 60691812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).