N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide

C13H19N3O4 — CID 43277702

IUPACN,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
SMILESCNCc1ccc(OC(C)C(=O)N(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O4/c1-9(13(17)15(3)4)20-12-6-5-10(8-14-2)7-11(12)16(18)19/h5-7,9,14H,8H2,1-4H3
InChIKeyRAMXWHSJPKLLTA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.17
Rot. Bonds6

About N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide

N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide (PubChem CID 43277702) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
PubChem CID43277702
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
SMILESCNCc1ccc(OC(C)C(=O)N(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O4/c1-9(13(17)15(3)4)20-12-6-5-10(8-14-2)7-11(12)16(18)19/h5-7,9,14H,8H2,1-4H3
InChIKeyRAMXWHSJPKLLTA-UHFFFAOYSA-N
XLogP1.17
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.17
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

N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 43277695
4-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid
CID 43216805
2-[4-(methylaminomethyl)-2-nitrophenoxy]butanoic acid
CID 64667306
2-methyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 43311885
ethyl 2-[4-(methylaminomethyl)-2-nitrophenoxy]butanoate
CID 64667305
1-[4-(2-methoxypropoxy)-3-nitrophenyl]-N-methylmethanamine
CID 113382678
N-methyl-1-[4-(2-methylbutoxy)-3-nitrophenyl]methanamine
CID 62105475
2-[4-[(2-methylpropylamino)methyl]-2-nitrophenoxy]propanamide
CID 63056530
N,N-diethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]ethanamine
CID 43277714
N-cyclopropyl-3-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 62625757
1-[4-(2-ethoxyethoxy)-3-nitrophenyl]-N-methylmethanamine
CID 43383665
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N,N-dimethylpropanamide
CID 116542020

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
The IUPAC name of N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide (CID 43277702) is N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
The canonical SMILES for N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide is CNCc1ccc(OC(C)C(=O)N(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
The InChIKey is RAMXWHSJPKLLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(13(17)15(3)4)20-12-6-5-10(8-14-2)7-11(12)16(18)19/h5-7,9,14H,8H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide has a molecular weight of 281.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide is sourced from PubChem (CID 43277702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).