2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide

C14H21F2N3O — CID 79651883

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)CC(C)(C)CN
InChIInChI=1S/C14H21F2N3O/c1-14(2,8-17)9-19(3)7-13(20)18-12-5-10(15)4-11(16)6-12/h4-6H,7-9,17H2,1-3H3,(H,18,20)
InChIKeyPWLSHVAFEMUHFB-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.82
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide (PubChem CID 79651883) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
PubChem CID79651883
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)CC(C)(C)CN
InChIInChI=1S/C14H21F2N3O/c1-14(2,8-17)9-19(3)7-13(20)18-12-5-10(15)4-11(16)6-12/h4-6H,7-9,17H2,1-3H3,(H,18,20)
InChIKeyPWLSHVAFEMUHFB-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 119928864
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 79652359
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 119928898
N-(3,5-difluorophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665697
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 79645523
5-(3,5-difluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 60699322
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119928883
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79652535
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 79653209
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 116652536
3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide (CID 79651883) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide is CN(CC(=O)Nc1cc(F)cc(F)c1)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is PWLSHVAFEMUHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-14(2,8-17)9-19(3)7-13(20)18-12-5-10(15)4-11(16)6-12/h4-6H,7-9,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 285.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 79651883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).