N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide

C12H17N3O4 — CID 166477963

IUPACN-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])ccc1OCCN(C)C
InChIInChI=1S/C12H17N3O4/c1-9(16)13-11-8-10(15(17)18)4-5-12(11)19-7-6-14(2)3/h4-5,8H,6-7H2,1-3H3,(H,13,16)
InChIKeyATYZCHJIWTVFOZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.49
Rot. Bonds6

About N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide

N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide (PubChem CID 166477963) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide
PubChem CID166477963
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])ccc1OCCN(C)C
InChIInChI=1S/C12H17N3O4/c1-9(16)13-11-8-10(15(17)18)4-5-12(11)19-7-6-14(2)3/h4-5,8H,6-7H2,1-3H3,(H,13,16)
InChIKeyATYZCHJIWTVFOZ-UHFFFAOYSA-N
XLogP1.49
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-bromo-5-nitrophenoxy)-N,N-dimethylethanamine
CID 18980113
N-(5-nitro-2-propoxyphenyl)decanamide
CID 23276615
N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide
CID 5311932
1-[2-(4-fluorophenoxy)ethyl]-3-(2-methoxy-5-nitrophenyl)-1-methylurea
CID 55694053
6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide
CID 70586700
3-[(2-ethoxy-5-nitrophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122092535
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxy-5-nitrobenzamide
CID 55857984
4-(2-chloro-4-nitrophenoxy)butan-2-one
CID 60666840
methyl 3-[2-(dimethylamino)ethoxy]-4-nitrobenzoate
CID 113223309
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide
CID 18672595
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide (CID 166477963) is N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide is CC(=O)Nc1cc([N+](=O)[O-])ccc1OCCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide?
The InChIKey is ATYZCHJIWTVFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-9(16)13-11-8-10(15(17)18)4-5-12(11)19-7-6-14(2)3/h4-5,8H,6-7H2,1-3H3,(H,13,16).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide?
N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide has a molecular weight of 267.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide is sourced from PubChem (CID 166477963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).