N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide

C18H21ClN2O3 — CID 119773408

IUPACN-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O3/c1-20-13-18(22)21-12-14-2-6-16(7-3-14)23-10-11-24-17-8-4-15(19)5-9-17/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyVMRWBPREWWWRKG-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.63
Rot. Bonds9

About N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide

N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide (PubChem CID 119773408) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
PubChem CID119773408
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O3/c1-20-13-18(22)21-12-14-2-6-16(7-3-14)23-10-11-24-17-8-4-15(19)5-9-17/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyVMRWBPREWWWRKG-UHFFFAOYSA-N
XLogP2.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.63
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

2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
methyl 4-[4-[[[2-(methylamino)acetyl]amino]methyl]phenoxy]butanoate
CID 119787949
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
2-(2,4-dichlorophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662831
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride
CID 119317662
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide (CID 119773408) is N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide is CNCC(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide?
The InChIKey is VMRWBPREWWWRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-20-13-18(22)21-12-14-2-6-16(7-3-14)23-10-11-24-17-8-4-15(19)5-9-17/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide?
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide has a molecular weight of 348.83 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119773408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).