N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide

C14H20N2O4 — CID 5120159

IUPACN-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
SMILESCCOc1cc(C(NC(C)=O)NC(C)=O)ccc1OC
InChIInChI=1S/C14H20N2O4/c1-5-20-13-8-11(6-7-12(13)19-4)14(15-9(2)17)16-10(3)18/h6-8,14H,5H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyICOYGWNMSWUIBJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.36
Rot. Bonds6

About N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide

N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide (PubChem CID 5120159) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
PubChem CID5120159
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
SMILESCCOc1cc(C(NC(C)=O)NC(C)=O)ccc1OC
InChIInChI=1S/C14H20N2O4/c1-5-20-13-8-11(6-7-12(13)19-4)14(15-9(2)17)16-10(3)18/h6-8,14H,5H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyICOYGWNMSWUIBJ-UHFFFAOYSA-N
XLogP1.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 18889979
3-acetamido-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 5121115
N-[acetamido-(4-hexoxy-3-methoxyphenyl)methyl]acetamide
CID 2139822
4-bromo-N-[[(4-bromobenzoyl)amino]-(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 4512108
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
CID 14816122
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
1,3-bis(3-ethoxy-4-methoxyphenyl)-1,3-bis(4-methylphenyl)propan-2-one
CID 141342275
N-[(3-heptoxy-4-methoxyphenyl)-(pentanoylamino)methyl]pentanamide
CID 18890153

Frequently Asked Questions

What is the IUPAC name of N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide (CID 5120159) is N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide is CCOc1cc(C(NC(C)=O)NC(C)=O)ccc1OC.
What is the InChIKey of N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide?
The InChIKey is ICOYGWNMSWUIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-20-13-8-11(6-7-12(13)19-4)14(15-9(2)17)16-10(3)18/h6-8,14H,5H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide?
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide has a molecular weight of 280.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 5120159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).