2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide

C19H23N3O6 — CID 9196683

IUPAC2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C19H23N3O6/c1-21(11-13-6-5-7-16(26-2)19(13)28-4)12-18(23)20-15-9-8-14(22(24)25)10-17(15)27-3/h5-10H,11-12H2,1-4H3,(H,20,23)
InChIKeyOIORGTLWHNLPNQ-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.69
Rot. Bonds9

About 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide

2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 9196683) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID9196683
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C19H23N3O6/c1-21(11-13-6-5-7-16(26-2)19(13)28-4)12-18(23)20-15-9-8-14(22(24)25)10-17(15)27-3/h5-10H,11-12H2,1-4H3,(H,20,23)
InChIKeyOIORGTLWHNLPNQ-UHFFFAOYSA-N
XLogP2.69
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-chloro-2-nitrophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 4880362
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9196682
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4880360
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 38300922
N-(4-chloro-2-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9196707
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 27204439
N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 24566360
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26424871
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 55571800
N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 27245257
N-(2-methoxy-4-nitrophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480038
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 26429979

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide (CID 9196683) is 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1cccc(OC)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is OIORGTLWHNLPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-21(11-13-6-5-7-16(26-2)19(13)28-4)12-18(23)20-15-9-8-14(22(24)25)10-17(15)27-3/h5-10H,11-12H2,1-4H3,(H,20,23).
What are the key properties of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide?
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 389.41 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 9196683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).