4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide

C10H18F2N2O2 — CID 120591930

IUPAC4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)N(CC(F)F)C1CC1
InChIInChI=1S/C10H18F2N2O2/c1-16-8(5-13)4-10(15)14(6-9(11)12)7-2-3-7/h7-9H,2-6,13H2,1H3
InChIKeyRGIYBJWQBRCYGJ-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.61
Rot. Bonds7

About 4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide

4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide (PubChem CID 120591930) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide
PubChem CID120591930
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)N(CC(F)F)C1CC1
InChIInChI=1S/C10H18F2N2O2/c1-16-8(5-13)4-10(15)14(6-9(11)12)7-2-3-7/h7-9H,2-6,13H2,1H3
InChIKeyRGIYBJWQBRCYGJ-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-methoxypropyl)-4,4,4-trifluoro-N-methylbutanamide
CID 65713021
2-morpholin-2-yl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66426577
N-(1-cyclopropylethyl)-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66427429
2-morpholin-2-yl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66427436
N-cyclopropyl-2-morpholin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 66427677
N-cyclopropyl-4-[2-(trifluoromethoxy)ethylamino]butanamide
CID 79394298
2-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 81082970
2-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 81088642
4-amino-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103154227
4-amino-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 103154875
4-amino-N-(1-cyclopropylethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155071
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide (CID 120591930) is 4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide is COC(CN)CC(=O)N(CC(F)F)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide?
The InChIKey is RGIYBJWQBRCYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-16-8(5-13)4-10(15)14(6-9(11)12)7-2-3-7/h7-9H,2-6,13H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide?
4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide has a molecular weight of 236.26 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2,2-difluoroethyl)-3-methoxybutanamide is sourced from PubChem (CID 120591930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).