N-(tert-butylcarbamoyl)-N-methylacetamide

C8H16N2O2 — CID 57298614

IUPACN-(tert-butylcarbamoyl)-N-methylacetamide
SMILESCC(=O)N(C)C(=O)NC(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-6(11)10(5)7(12)9-8(2,3)4/h1-5H3,(H,9,12)
InChIKeyBKCNPIPINUJDLV-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.97
Rot. Bonds

About N-(tert-butylcarbamoyl)-N-methylacetamide

N-(tert-butylcarbamoyl)-N-methylacetamide (PubChem CID 57298614) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-N-methylacetamide
PubChem CID57298614
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(tert-butylcarbamoyl)-N-methylacetamide
SMILESCC(=O)N(C)C(=O)NC(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-6(11)10(5)7(12)9-8(2,3)4/h1-5H3,(H,9,12)
InChIKeyBKCNPIPINUJDLV-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-N-(propan-2-ylcarbamoyl)acetamide
CID 15732490
N-propan-2-yl-N-(propylcarbamoyl)acetamide
CID 91523830
N-[carbamoyl(methyl)carbamoyl]acetamide
CID 20070709
1,3-Ditert-butyl-1-methylurea
CID 57722030
N-(dimethylcarbamoyl)acetamide
CID 58608084
N-[[tert-butyl(methyl)amino]methyl]acetamide
CID 59035118
N-[[tert-butyl(methyl)amino]methyl]-2-deuterioacetamide
CID 59035120
N-[(tert-butylamino)methyl]acetamide
CID 89819961
2-[Tert-butylcarbamoyl(methyl)amino]acetamide
CID 115585542
3-(Tert-butylcarbamoyl)-1,1-dimethylurea
CID 118052568
N-[methyl(propan-2-yl)carbamoyl]acetamide
CID 123878144
1-(Tert-butylcarbamoyl)-1,3-dimethylurea
CID 130010985

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-N-methylacetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-N-methylacetamide (CID 57298614) is N-(tert-butylcarbamoyl)-N-methylacetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-N-methylacetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-N-methylacetamide is CC(=O)N(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-N-methylacetamide?
The InChIKey is BKCNPIPINUJDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(11)10(5)7(12)9-8(2,3)4/h1-5H3,(H,9,12).
What are the key properties of N-(tert-butylcarbamoyl)-N-methylacetamide?
N-(tert-butylcarbamoyl)-N-methylacetamide has a molecular weight of 172.23 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-N-methylacetamide is sourced from PubChem (CID 57298614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).