N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide

C15H23N3O4 — CID 134044889

IUPACN,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C15H23N3O4/c1-5-17(6-2)15(19)11-16(3)10-12-9-13(18(20)21)7-8-14(12)22-4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyUAFKPQYTGTVRTA-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.90
Rot. Bonds8

About N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide

N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide (PubChem CID 134044889) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
PubChem CID134044889
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C15H23N3O4/c1-5-17(6-2)15(19)11-16(3)10-12-9-13(18(20)21)7-8-14(12)22-4/h7-9H,5-6,10-11H2,1-4H3
InChIKeyUAFKPQYTGTVRTA-UHFFFAOYSA-N
XLogP1.90
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
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-chloro-5-nitrophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60704014
2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide
CID 18980103
N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 27245257
ethyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370237
N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide
CID 59167877
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43216548
1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
CID 26515521
methyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370815
1-(5-bromofuran-2-yl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
CID 37420801
N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
CID 134005734
1-(2-methoxy-5-nitrophenyl)-3-phenylpropan-2-one
CID 158664219
N-(2-methoxy-5-nitrophenyl)propanehydrazide
CID 71146725

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide (CID 134044889) is N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide is CCN(CC)C(=O)CN(C)Cc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide?
The InChIKey is UAFKPQYTGTVRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-5-17(6-2)15(19)11-16(3)10-12-9-13(18(20)21)7-8-14(12)22-4/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide?
N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide has a molecular weight of 309.37 g/mol, XLogP of 1.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 134044889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).