N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide

C14H20N2O3 — CID 110763188

IUPACN-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)NCCNC(C)=O)c(C)c1C
InChIInChI=1S/C14H20N2O3/c1-9-10(2)13(19-4)6-5-12(9)14(18)16-8-7-15-11(3)17/h5-6H,7-8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyGIKUXJMRDQSUFH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.18
Rot. Bonds5

About N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide

N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide (PubChem CID 110763188) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
PubChem CID110763188
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)NCCNC(C)=O)c(C)c1C
InChIInChI=1S/C14H20N2O3/c1-9-10(2)13(19-4)6-5-12(9)14(18)16-8-7-15-11(3)17/h5-6H,7-8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyGIKUXJMRDQSUFH-UHFFFAOYSA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-4-methoxy-2,3-dimethylbenzamide
CID 82472071
4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide
CID 110763144
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
CID 98016459
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334
N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
CID 115271620
3-[2-[(3,4-dimethoxy-2-methylbenzoyl)amino]ethyldisulfanyl]propanoic acid
CID 166422703
N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 110758714
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820
N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
CID 110761838

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide (CID 110763188) is N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide is COc1ccc(C(=O)NCCNC(C)=O)c(C)c1C.
What is the InChIKey of N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide?
The InChIKey is GIKUXJMRDQSUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-10(2)13(19-4)6-5-12(9)14(18)16-8-7-15-11(3)17/h5-6H,7-8H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide?
N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide is sourced from PubChem (CID 110763188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).