2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide

C12H24N2O2 — CID 144616082

IUPAC2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(C(=O)NC(N)=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)7-8(12(4,5)6)9(15)14-10(13)16/h8H,7H2,1-6H3,(H3,13,14,15,16)
InChIKeyQTCIMIAVTDZSNX-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.28
Rot. Bonds2

About 2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide

2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide (PubChem CID 144616082) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
PubChem CID144616082
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(C(=O)NC(N)=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)7-8(12(4,5)6)9(15)14-10(13)16/h8H,7H2,1-6H3,(H3,13,14,15,16)
InChIKeyQTCIMIAVTDZSNX-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-2-tert-butyl-4,4-dimethylpentanamide
CID 88988167
2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
2-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105
3-tert-butyl-5,5-dimethylhexan-2-one
CID 89376831
N-(2-tert-butyl-4,4-dimethylpentanoyl)-fluorophosphonamidic acid
CID 142069117
2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
CID 170128200
4-tert-butyl-2,2,6,6-tetramethylheptan-3-one
CID 157168171
2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide
CID 170128023
2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide
CID 89331176
N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide
CID 174169742
2-tert-butyl-N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]-4,4-dimethylpentanamide
CID 143433202
N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide
CID 83144225

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide?
The IUPAC name of 2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide (CID 144616082) is 2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide is CC(C)(C)CC(C(=O)NC(N)=O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide?
The InChIKey is QTCIMIAVTDZSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)7-8(12(4,5)6)9(15)14-10(13)16/h8H,7H2,1-6H3,(H3,13,14,15,16).
What are the key properties of 2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide?
2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-carbamoyl-4,4-dimethylpentanamide is sourced from PubChem (CID 144616082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).