2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide

C14H18FN3O2 — CID 81083579

IUPAC2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)C(N)COC
InChIInChI=1S/C14H18FN3O2/c1-3-18(14(19)13(17)9-20-2)8-11-5-4-10(7-16)6-12(11)15/h4-6,13H,3,8-9,17H2,1-2H3
InChIKeyLSHMGQFTNGPYOX-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.02
Rot. Bonds6

About 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide

2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide (PubChem CID 81083579) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide
PubChem CID81083579
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)C(N)COC
InChIInChI=1S/C14H18FN3O2/c1-3-18(14(19)13(17)9-20-2)8-11-5-4-10(7-16)6-12(11)15/h4-6,13H,3,8-9,17H2,1-2H3
InChIKeyLSHMGQFTNGPYOX-UHFFFAOYSA-N
XLogP1.02
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 107568965
(2S)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylpentanamide
CID 61174450
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
CID 112685872
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 79012793
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79272052
5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide
CID 82850013
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265040
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993055
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide
CID 120993056
3-(aminomethyl)-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 81083740
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-fluorobenzonitrile
CID 54942311
2-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-methylpropanamide
CID 81082817

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide (CID 81083579) is 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide is CCN(Cc1ccc(C#N)cc1F)C(=O)C(N)COC.
What is the InChIKey of 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide?
The InChIKey is LSHMGQFTNGPYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-3-18(14(19)13(17)9-20-2)8-11-5-4-10(7-16)6-12(11)15/h4-6,13H,3,8-9,17H2,1-2H3.
What are the key properties of 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide?
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide has a molecular weight of 279.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide is sourced from PubChem (CID 81083579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).