N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide

C14H21N3O3 — CID 106484641

IUPACN-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide
SMILESCNCc1ccccc1OCC(=O)NCCNC(C)=O
InChIInChI=1S/C14H21N3O3/c1-11(18)16-7-8-17-14(19)10-20-13-6-4-3-5-12(13)9-15-2/h3-6,15H,7-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXFUZWMRJFIZEDQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.04
Rot. Bonds8

About N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide

N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide (PubChem CID 106484641) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide
PubChem CID106484641
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide
SMILESCNCc1ccccc1OCC(=O)NCCNC(C)=O
InChIInChI=1S/C14H21N3O3/c1-11(18)16-7-8-17-14(19)10-20-13-6-4-3-5-12(13)9-15-2/h3-6,15H,7-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXFUZWMRJFIZEDQ-UHFFFAOYSA-N
XLogP0.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43277187
2-[2-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 80723765
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196
N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 60881968
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
CID 108538543
2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108574553
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
2-[2-(methylaminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 106484672
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide (CID 106484641) is N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide is CNCc1ccccc1OCC(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide?
The InChIKey is XFUZWMRJFIZEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11(18)16-7-8-17-14(19)10-20-13-6-4-3-5-12(13)9-15-2/h3-6,15H,7-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide?
N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 106484641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).