N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide

C16H24N2O4 — CID 4880220

IUPACN-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCNC(C)=O)cc1OC
InChIInChI=1S/C16H24N2O4/c1-4-5-10-22-14-7-6-13(11-15(14)21-3)16(20)18-9-8-17-12(2)19/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyRGMWWCBSIQIRGC-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.74
Rot. Bonds9

About N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide

N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide (PubChem CID 4880220) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
PubChem CID4880220
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCNC(C)=O)cc1OC
InChIInChI=1S/C16H24N2O4/c1-4-5-10-22-14-7-6-13(11-15(14)21-3)16(20)18-9-8-17-12(2)19/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyRGMWWCBSIQIRGC-UHFFFAOYSA-N
XLogP1.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655429
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
4-butoxy-3-methoxybenzamide
CID 47102628
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide (CID 4880220) is N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide is CCCCOc1ccc(C(=O)NCCNC(C)=O)cc1OC.
What is the InChIKey of N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide?
The InChIKey is RGMWWCBSIQIRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-5-10-22-14-7-6-13(11-15(14)21-3)16(20)18-9-8-17-12(2)19/h6-7,11H,4-5,8-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide?
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide is sourced from PubChem (CID 4880220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).