N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide

C22H28FN3O2 — CID 8720043

IUPACN-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
SMILESCCc1ccc([C@H](NCC(=O)NC(=O)NC(C)(C)C)c2cccc(F)c2)cc1
InChIInChI=1S/C22H28FN3O2/c1-5-15-9-11-16(12-10-15)20(17-7-6-8-18(23)13-17)24-14-19(27)25-21(28)26-22(2,3)4/h6-13,20,24H,5,14H2,1-4H3,(H2,25,26,27,28)/t20-/m0/s1
InChIKeyAOLZTUWOUOMQJX-FQEVSTJZSA-N
MW385.48 g/mol
LogP3.69
Rot. Bonds6

About N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide

N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide (PubChem CID 8720043) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
PubChem CID8720043
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
SMILESCCc1ccc([C@H](NCC(=O)NC(=O)NC(C)(C)C)c2cccc(F)c2)cc1
InChIInChI=1S/C22H28FN3O2/c1-5-15-9-11-16(12-10-15)20(17-7-6-8-18(23)13-17)24-14-19(27)25-21(28)26-22(2,3)4/h6-13,20,24H,5,14H2,1-4H3,(H2,25,26,27,28)/t20-/m0/s1
InChIKeyAOLZTUWOUOMQJX-FQEVSTJZSA-N
XLogP3.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719979
N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide
CID 8829914
N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719944
(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8830029
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 60674328
N-(tert-butylcarbamoyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9375557
N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 51200030
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8829973
[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8720093
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8720126
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18271232

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide (CID 8720043) is N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide is CCc1ccc([C@H](NCC(=O)NC(=O)NC(C)(C)C)c2cccc(F)c2)cc1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide?
The InChIKey is AOLZTUWOUOMQJX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-5-15-9-11-16(12-10-15)20(17-7-6-8-18(23)13-17)24-14-19(27)25-21(28)26-22(2,3)4/h6-13,20,24H,5,14H2,1-4H3,(H2,25,26,27,28)/t20-/m0/s1.
What are the key properties of N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide?
N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide has a molecular weight of 385.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 8720043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).