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

C18H21ClN2O2 — CID 9040068

IUPACN-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
SMILESCN(CCCOc1ccccc1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-21(12-5-13-23-17-6-3-2-4-7-17)14-18(22)20-16-10-8-15(19)9-11-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,22)
InChIKeyHUXFTOPPBLCJDW-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.68
Rot. Bonds8

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

N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide (PubChem CID 9040068) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
PubChem CID9040068
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
SMILESCN(CCCOc1ccccc1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-21(12-5-13-23-17-6-3-2-4-7-17)14-18(22)20-16-10-8-15(19)9-11-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,22)
InChIKeyHUXFTOPPBLCJDW-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.68
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

N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 55648751
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
CID 4824875
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54809010
methyl 2-[3-(4-chlorophenoxy)propyl-methylamino]acetate
CID 60670349
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 60507371
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide (CID 9040068) is N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide is CN(CCCOc1ccccc1)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide?
The InChIKey is HUXFTOPPBLCJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(12-5-13-23-17-6-3-2-4-7-17)14-18(22)20-16-10-8-15(19)9-11-16/h2-4,6-11H,5,12-14H2,1H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide?
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide is sourced from PubChem (CID 9040068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).