3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide

C10H20F2N2O2 — CID 106176749

IUPAC3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(N)CC(=O)NCC(F)(F)CO
InChIInChI=1S/C10H20F2N2O2/c1-9(2,3)7(13)4-8(16)14-5-10(11,12)6-15/h7,15H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyRRLIAEZCZMUQSR-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.49
Rot. Bonds5

About 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide

3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide (PubChem CID 106176749) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide
PubChem CID106176749
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(N)CC(=O)NCC(F)(F)CO
InChIInChI=1S/C10H20F2N2O2/c1-9(2,3)7(13)4-8(16)14-5-10(11,12)6-15/h7,15H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyRRLIAEZCZMUQSR-UHFFFAOYSA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
CID 114167246
N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide
CID 106173501
N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide
CID 114383560
2-methylpropyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
CID 106169028
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
3-(4-bromophenyl)-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 104857295
N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide
CID 106178303
2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 106176989
ethyl 2-amino-3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropanoate
CID 106176979
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-sulfanylbutanamide
CID 106173312
3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid
CID 106109020
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
CID 113405165

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide?
The IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide (CID 106176749) is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide is CC(C)(C)C(N)CC(=O)NCC(F)(F)CO.
What is the InChIKey of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide?
The InChIKey is RRLIAEZCZMUQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-9(2,3)7(13)4-8(16)14-5-10(11,12)6-15/h7,15H,4-6,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide?
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide has a molecular weight of 238.28 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 106176749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).