2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide

C13H18F2N2O2 — CID 76887533

IUPAC2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O2/c1-13(2,3)10(16)11(18)17-8-5-4-6-9(7-8)19-12(14)15/h4-7,10,12H,16H2,1-3H3,(H,17,18)
InChIKeyJCYKGAVVPLZZIB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide

2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide (PubChem CID 76887533) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
PubChem CID76887533
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O2/c1-13(2,3)10(16)11(18)17-8-5-4-6-9(7-8)19-12(14)15/h4-7,10,12H,16H2,1-3H3,(H,17,18)
InChIKeyJCYKGAVVPLZZIB-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
CID 62638211
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119723901
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide (CID 76887533) is 2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
The InChIKey is JCYKGAVVPLZZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-13(2,3)10(16)11(18)17-8-5-4-6-9(7-8)19-12(14)15/h4-7,10,12H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide?
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide has a molecular weight of 272.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76887533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).