N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide

C13H18N2O4 — CID 102198875

IUPACN-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide
SMILESCOCC(=O)N(CC(=O)N(C)OC)c1ccccc1
InChIInChI=1S/C13H18N2O4/c1-14(19-3)12(16)9-15(13(17)10-18-2)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyNTYJWILJVPNWPE-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.69
Rot. Bonds6

About N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide

N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide (PubChem CID 102198875) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide.

Molecular Properties

Compound NameN-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide
PubChem CID102198875
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide
SMILESCOCC(=O)N(CC(=O)N(C)OC)c1ccccc1
InChIInChI=1S/C13H18N2O4/c1-14(19-3)12(16)9-15(13(17)10-18-2)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyNTYJWILJVPNWPE-UHFFFAOYSA-N
XLogP0.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide
CID 12810715
2-[N-(12-methoxydodecanoyl)anilino]acetic acid
CID 19611757
2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 171479446
3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid
CID 82321836
2-methoxy-N-methyl-N-(3-nitrophenyl)acetamide
CID 140995398
methyl 2-(N-(2-methoxyacetyl)anilino)-2-methylpropanoate
CID 141001456
2-(3-benzylphenyl)-N-methoxy-N-methylacetamide
CID 131737866
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide?
The IUPAC name of N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide (CID 102198875) is N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide.
What is the SMILES notation for N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide?
The canonical SMILES for N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide is COCC(=O)N(CC(=O)N(C)OC)c1ccccc1.
What is the InChIKey of N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide?
The InChIKey is NTYJWILJVPNWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-14(19-3)12(16)9-15(13(17)10-18-2)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide?
N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide has a molecular weight of 266.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide is sourced from PubChem (CID 102198875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).