N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide

C20H25ClN2O2 — CID 55648751

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
SMILESCN(CCCOc1ccccc1)CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O2/c1-23(14-5-15-25-19-6-3-2-4-7-19)16-20(24)22-13-12-17-8-10-18(21)11-9-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,24)
InChIKeyIILUUTPSVZGQOF-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.40
Rot. Bonds10

About N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide (PubChem CID 55648751) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
PubChem CID55648751
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
SMILESCN(CCCOc1ccccc1)CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O2/c1-23(14-5-15-25-19-6-3-2-4-7-19)16-20(24)22-13-12-17-8-10-18(21)11-9-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,24)
InChIKeyIILUUTPSVZGQOF-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18083569
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4830299
2-[5-hydroxypentyl(methyl)amino]-N-(2-phenoxyethyl)acetamide
CID 107204277
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
methyl 2-[3-(4-chlorophenoxy)propyl-methylamino]acetate
CID 60670349
N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 87013061
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide
CID 71944034
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 60507319

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide (CID 55648751) is N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide is CN(CCCOc1ccccc1)CC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide?
The InChIKey is IILUUTPSVZGQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-23(14-5-15-25-19-6-3-2-4-7-19)16-20(24)22-13-12-17-8-10-18(21)11-9-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide has a molecular weight of 360.89 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide is sourced from PubChem (CID 55648751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).