N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide

C14H20N2O3 — CID 110762173

IUPACN-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCCNC(C)=O)cc1C
InChIInChI=1S/C14H20N2O3/c1-4-19-13-6-5-12(9-10(13)2)14(18)16-8-7-15-11(3)17/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyZEFGLENKSGQZMF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds6

About N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide

N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide (PubChem CID 110762173) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
PubChem CID110762173
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCCNC(C)=O)cc1C
InChIInChI=1S/C14H20N2O3/c1-4-19-13-6-5-12(9-10(13)2)14(18)16-8-7-15-11(3)17/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyZEFGLENKSGQZMF-UHFFFAOYSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
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-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide
CID 100560116
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658818
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220
4-ethoxy-3-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 100550465
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide
CID 86938507
[4-(ethylcarbamoyl)phenyl] 4-ethoxy-3-methylbenzoate
CID 86960874
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
CID 86938100
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-methylbenzamide
CID 100768676
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 100542456

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide (CID 110762173) is N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)NCCNC(C)=O)cc1C.
What is the InChIKey of N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide?
The InChIKey is ZEFGLENKSGQZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-13-6-5-12(9-10(13)2)14(18)16-8-7-15-11(3)17/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide?
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 110762173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).