N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide

C12H17N3O4 — CID 43277695

IUPACN-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
SMILESCNCc1ccc(OC(C)C(=O)NC)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O4/c1-8(12(16)14-3)19-11-5-4-9(7-13-2)6-10(11)15(17)18/h4-6,8,13H,7H2,1-3H3,(H,14,16)
InChIKeyFWDLWNLHXCGZGF-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.83
Rot. Bonds6

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

N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide (PubChem CID 43277695) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide.

Molecular Properties

Compound NameN-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
PubChem CID43277695
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC NameN-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
SMILESCNCc1ccc(OC(C)C(=O)NC)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O4/c1-8(12(16)14-3)19-11-5-4-9(7-13-2)6-10(11)15(17)18/h4-6,8,13H,7H2,1-3H3,(H,14,16)
InChIKeyFWDLWNLHXCGZGF-UHFFFAOYSA-N
XLogP0.83
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
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,N-dimethyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 43277702
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
2-(4-cyano-2-nitrophenoxy)-N-(methylcarbamoyl)propanamide
CID 115595440
1-[4-(2-methoxypropoxy)-3-nitrophenyl]-N-methylmethanamine
CID 113382678
N-methyl-1-[4-(2-methylbutoxy)-3-nitrophenyl]methanamine
CID 62105475
(E)-3-[4-[1-(methylamino)-1-oxopropan-2-yl]oxy-3-nitrophenyl]prop-2-enoic acid
CID 43137799
2-[4-[(2-methylpropylamino)methyl]-2-nitrophenoxy]propanamide
CID 63056530
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941293
2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide
CID 104889988
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylpropanamide
CID 116541821

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
The IUPAC name of N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide (CID 43277695) is N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide.
What is the SMILES notation for N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
The canonical SMILES for N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide is CNCc1ccc(OC(C)C(=O)NC)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
The InChIKey is FWDLWNLHXCGZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(12(16)14-3)19-11-5-4-9(7-13-2)6-10(11)15(17)18/h4-6,8,13H,7H2,1-3H3,(H,14,16).
What are the key properties of N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide?
N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide has a molecular weight of 267.29 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide is sourced from PubChem (CID 43277695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).