2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide

C15H23F2N3O2 — CID 120993056

IUPAC2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F
InChIInChI=1S/C15H23F2N3O2/c1-19(2)6-7-20(15(21)14(18)10-22-3)9-11-4-5-12(16)8-13(11)17/h4-5,8,14H,6-7,9-10,18H2,1-3H3
InChIKeyCJWYKMDGLKKXOQ-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.83
Rot. Bonds8

About 2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide

2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide (PubChem CID 120993056) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide
PubChem CID120993056
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Name2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F
InChIInChI=1S/C15H23F2N3O2/c1-19(2)6-7-20(15(21)14(18)10-22-3)9-11-4-5-12(16)8-13(11)17/h4-5,8,14H,6-7,9-10,18H2,1-3H3
InChIKeyCJWYKMDGLKKXOQ-UHFFFAOYSA-N
XLogP0.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide (CID 120993056) is 2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide is COCC(N)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F.
What is the InChIKey of 2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide?
The InChIKey is CJWYKMDGLKKXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-19(2)6-7-20(15(21)14(18)10-22-3)9-11-4-5-12(16)8-13(11)17/h4-5,8,14H,6-7,9-10,18H2,1-3H3.
What are the key properties of 2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide?
2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide has a molecular weight of 315.36 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 120993056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).