N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

C18H29N3O2 — CID 9028162

IUPACN-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCC(C)c1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H29N3O2/c1-13(2)15-9-7-14(8-10-15)11-21(6)12-16(22)19-17(23)20-18(3,4)5/h7-10,13H,11-12H2,1-6H3,(H2,19,20,22,23)
InChIKeyYHJMYPSFSHWNNP-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.87
Rot. Bonds5

About N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (PubChem CID 9028162) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
PubChem CID9028162
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCC(C)c1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H29N3O2/c1-13(2)15-9-7-14(8-10-15)11-21(6)12-16(22)19-17(23)20-18(3,4)5/h7-10,13H,11-12H2,1-6H3,(H2,19,20,22,23)
InChIKeyYHJMYPSFSHWNNP-UHFFFAOYSA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784
N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028269
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9028292
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 113246222
N-(2-methylphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028527
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
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-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetamide
CID 46405970
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (CID 9028162) is N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is CC(C)c1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The InChIKey is YHJMYPSFSHWNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)15-9-7-14(8-10-15)11-21(6)12-16(22)19-17(23)20-18(3,4)5/h7-10,13H,11-12H2,1-6H3,(H2,19,20,22,23).
What are the key properties of N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.87, 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-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 9028162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).