2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide

C20H29F2N3O2 — CID 166932387

IUPAC2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide
SMILESCCC(CC)(CNC(=O)C(N)C1CCN(C=O)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H29F2N3O2/c1-3-20(4-2,15-5-6-16(21)17(22)11-15)12-24-19(27)18(23)14-7-9-25(13-26)10-8-14/h5-6,11,13-14,18H,3-4,7-10,12,23H2,1-2H3,(H,24,27)
InChIKeyMYYUWGRFXZGAJS-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.33
Rot. Bonds8

About 2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide

2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide (PubChem CID 166932387) has the molecular formula C20H29F2N3O2 and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide
PubChem CID166932387
Molecular FormulaC20H29F2N3O2
Molecular Weight381.47 g/mol
Exact Mass381.22
IUPAC Name2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide
SMILESCCC(CC)(CNC(=O)C(N)C1CCN(C=O)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H29F2N3O2/c1-3-20(4-2,15-5-6-16(21)17(22)11-15)12-24-19(27)18(23)14-7-9-25(13-26)10-8-14/h5-6,11,13-14,18H,3-4,7-10,12,23H2,1-2H3,(H,24,27)
InChIKeyMYYUWGRFXZGAJS-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932099
2-amino-N-(2-ethyl-2-phenylbutyl)-2-(1-formylpiperidin-4-yl)acetamide
CID 166932275
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932367
2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide
CID 166932266
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide;hydrochloride
CID 119318826
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
CID 115141139
2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride
CID 120989046
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
CID 119768490
4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290813
2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide
CID 119809188

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide (CID 166932387) is 2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide is CCC(CC)(CNC(=O)C(N)C1CCN(C=O)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide?
The InChIKey is MYYUWGRFXZGAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O2/c1-3-20(4-2,15-5-6-16(21)17(22)11-15)12-24-19(27)18(23)14-7-9-25(13-26)10-8-14/h5-6,11,13-14,18H,3-4,7-10,12,23H2,1-2H3,(H,24,27).
What are the key properties of 2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide?
2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide has a molecular weight of 381.47 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide is sourced from PubChem (CID 166932387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).