N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide

C17H27N3O2 — CID 4818784

IUPACN-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
SMILESCCc1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-6-13-7-9-14(10-8-13)11-20(5)12-15(21)18-16(22)19-17(2,3)4/h7-10H,6,11-12H2,1-5H3,(H2,18,19,21,22)
InChIKeyUXNILWKXVSFGDO-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.31
Rot. Bonds5

About N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide

N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide (PubChem CID 4818784) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
PubChem CID4818784
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
SMILESCCc1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-6-13-7-9-14(10-8-13)11-20(5)12-15(21)18-16(22)19-17(2,3)4/h7-10H,6,11-12H2,1-5H3,(H2,18,19,21,22)
InChIKeyUXNILWKXVSFGDO-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028162
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
N-(tert-butylcarbamoyl)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetamide
CID 46405970
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9303583
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 37420375
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
CID 46614817
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide
CID 8856962
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907562

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide (CID 4818784) is N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide is CCc1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide?
The InChIKey is UXNILWKXVSFGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-13-7-9-14(10-8-13)11-20(5)12-15(21)18-16(22)19-17(2,3)4/h7-10H,6,11-12H2,1-5H3,(H2,18,19,21,22).
What are the key properties of N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide?
N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 4818784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).