N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide

C12H18N2O3 — CID 82711615

IUPACN-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
SMILESCOCCONCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H18N2O3/c1-10(15)14-12-5-3-11(4-6-12)9-13-17-8-7-16-2/h3-6,13H,7-9H2,1-2H3,(H,14,15)
InChIKeyOBRLYWFUNGBDLY-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.31
Rot. Bonds7

About N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide

N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide (PubChem CID 82711615) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
PubChem CID82711615
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
SMILESCOCCONCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H18N2O3/c1-10(15)14-12-5-3-11(4-6-12)9-13-17-8-7-16-2/h3-6,13H,7-9H2,1-2H3,(H,14,15)
InChIKeyOBRLYWFUNGBDLY-UHFFFAOYSA-N
XLogP1.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine
CID 82710687
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide
CID 133370141
3-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoyloxy]propyl 3-methoxypropyl carbonate
CID 176863887
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785
N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
CID 43824322
methyl 4-[(4-acetamidophenyl)methylamino]-4-oxobutanoate
CID 59342834
N-[4-[3-(methoxyamino)propyl]phenyl]acetamide
CID 86619588
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide (CID 82711615) is N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide is COCCONCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide?
The InChIKey is OBRLYWFUNGBDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-10(15)14-12-5-3-11(4-6-12)9-13-17-8-7-16-2/h3-6,13H,7-9H2,1-2H3,(H,14,15).
What are the key properties of N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide?
N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide has a molecular weight of 238.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide is sourced from PubChem (CID 82711615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).