2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide

C10H21NO — CID 11457949

IUPAC2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide
SMILES[2H]C(C)(C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)10(12)11(8(3)4)9(5)6/h7-9H,1-6H3/i7D
InChIKeyQBBRHCGHMJKLIR-WHRKIXHSSA-N
MW172.29 g/mol
LogP2.29
Rot. Bonds3

About 2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide

2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide (PubChem CID 11457949) has the molecular formula C10H21NO and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide
PubChem CID11457949
Molecular FormulaC10H21NO
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide
SMILES[2H]C(C)(C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)10(12)11(8(3)4)9(5)6/h7-9H,1-6H3/i7D
InChIKeyQBBRHCGHMJKLIR-WHRKIXHSSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide (CID 11457949) is 2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide is [2H]C(C)(C)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is QBBRHCGHMJKLIR-WHRKIXHSSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)10(12)11(8(3)4)9(5)6/h7-9H,1-6H3/i7D.
What are the key properties of 2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide?
2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 172.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 11457949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).