2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide

C16H25FN2O2 — CID 87015047

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-4-8-18-16(20)12-19(9-5-2)11-13-6-7-15(21-3)14(17)10-13/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,18,20)
InChIKeyVHGGEOUPJDLMAN-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.57
Rot. Bonds9

About 2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide

2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide (PubChem CID 87015047) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
PubChem CID87015047
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-4-8-18-16(20)12-19(9-5-2)11-13-6-7-15(21-3)14(17)10-13/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,18,20)
InChIKeyVHGGEOUPJDLMAN-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxy-3-nitrophenyl)methyl-propylamino]-N-propylacetamide
CID 87015074
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18191553
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 60670069
2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 65344306
methyl 4-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 9349462
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
CID 65343735
2-[[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038169
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide
CID 18191552
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
N-(3-chloro-2-methylphenyl)-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]amino]acetamide
CID 9044326

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide (CID 87015047) is 2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide?
The InChIKey is VHGGEOUPJDLMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-8-18-16(20)12-19(9-5-2)11-13-6-7-15(21-3)14(17)10-13/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,18,20).
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide?
2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide has a molecular weight of 296.39 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide is sourced from PubChem (CID 87015047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).