2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide

C19H23FN2O2 — CID 110627301

IUPAC2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide
SMILESCN(C)C(C(=O)NCCCOc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H23FN2O2/c1-22(2)18(15-7-4-3-5-8-15)19(23)21-13-6-14-24-17-11-9-16(20)10-12-17/h3-5,7-12,18H,6,13-14H2,1-2H3,(H,21,23)
InChIKeyAYBDPGDWQWZLHR-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.01
Rot. Bonds8

About 2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide

2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide (PubChem CID 110627301) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide
PubChem CID110627301
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide
SMILESCN(C)C(C(=O)NCCCOc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H23FN2O2/c1-22(2)18(15-7-4-3-5-8-15)19(23)21-13-6-14-24-17-11-9-16(20)10-12-17/h3-5,7-12,18H,6,13-14H2,1-2H3,(H,21,23)
InChIKeyAYBDPGDWQWZLHR-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.01
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

(2S)-2-(dimethylamino)-N-[2-(3-methoxyphenoxy)ethyl]-2-phenylacetamide
CID 99646106
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methoxypropyl)-2-phenylacetamide
CID 133238331
N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide
CID 24507675
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238348
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-hydroxypropyl)-2-phenylacetamide
CID 133238329
N-[3-(4-fluorophenoxy)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307321
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133252135
N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133178688
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 131903948
2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid
CID 72842259

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide (CID 110627301) is 2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide is CN(C)C(C(=O)NCCCOc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide?
The InChIKey is AYBDPGDWQWZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-22(2)18(15-7-4-3-5-8-15)19(23)21-13-6-14-24-17-11-9-16(20)10-12-17/h3-5,7-12,18H,6,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide?
2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide has a molecular weight of 330.40 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide is sourced from PubChem (CID 110627301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).