N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide

C11H14N2O4 — CID 59167877

IUPACN-(2-methoxy-5-nitrophenyl)-N-methylpropanamide
SMILESCCC(=O)N(C)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H14N2O4/c1-4-11(14)12(2)9-7-8(13(15)16)5-6-10(9)17-3/h5-7H,4H2,1-3H3
InChIKeyITKRJIODNVEHKI-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.98
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide

N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide (PubChem CID 59167877) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-N-methylpropanamide
PubChem CID59167877
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-(2-methoxy-5-nitrophenyl)-N-methylpropanamide
SMILESCCC(=O)N(C)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H14N2O4/c1-4-11(14)12(2)9-7-8(13(15)16)5-6-10(9)17-3/h5-7H,4H2,1-3H3
InChIKeyITKRJIODNVEHKI-UHFFFAOYSA-N
XLogP1.98
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide
CID 18980103
N-(2-methoxy-5-nitrophenyl)propanehydrazide
CID 71146725
[2-[methyl(propanoyl)amino]-4-nitrophenyl] 3-acetamidopropanoate
CID 59374931
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid
CID 57351837
N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 134044889
N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
CID 59092898
N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
CID 134005734
1-(2-methoxy-5-nitrophenyl)-1-propylthiourea
CID 18322274
2-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetic acid
CID 28590072
ethyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370237
2-(3,4-dimethoxy-N-methylanilino)-4-nitrobenzoic acid
CID 44721649

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide (CID 59167877) is N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide is CCC(=O)N(C)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide?
The InChIKey is ITKRJIODNVEHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-11(14)12(2)9-7-8(13(15)16)5-6-10(9)17-3/h5-7H,4H2,1-3H3.
What are the key properties of N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide?
N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide has a molecular weight of 238.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide is sourced from PubChem (CID 59167877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).