2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

C14H21FN2O — CID 60516816

IUPAC2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCCN(C)C(C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-5-16(3)11(2)14(18)17(4)10-12-7-6-8-13(15)9-12/h6-9,11H,5,10H2,1-4H3
InChIKeyJHYNAFAVSXCPRS-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.12
Rot. Bonds5

About 2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 60516816) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID60516816
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCCN(C)C(C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-5-16(3)11(2)14(18)17(4)10-12-7-6-8-13(15)9-12/h6-9,11H,5,10H2,1-4H3
InChIKeyJHYNAFAVSXCPRS-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[methyl(2-morpholin-4-ylethyl)amino]propanamide
CID 95343013
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 112796373
N-[(3-fluorophenyl)methyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 46561832
(2R)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8710042
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8791449
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134030730

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (CID 60516816) is 2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is CCN(C)C(C)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is JHYNAFAVSXCPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-5-16(3)11(2)14(18)17(4)10-12-7-6-8-13(15)9-12/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 60516816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).