N,3-dimethyl-2-propan-2-ylbutanamide

C9H19NO — CID 10130083

IUPACN,3-dimethyl-2-propan-2-ylbutanamide
SMILESCNC(=O)C(C(C)C)C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)8(7(3)4)9(11)10-5/h6-8H,1-5H3,(H,10,11)
InChIKeyRNBYINBRAYDGLM-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.66
Rot. Bonds3

About N,3-dimethyl-2-propan-2-ylbutanamide

N,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 10130083) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID10130083
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,3-dimethyl-2-propan-2-ylbutanamide
SMILESCNC(=O)C(C(C)C)C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)8(7(3)4)9(11)10-5/h6-8H,1-5H3,(H,10,11)
InChIKeyRNBYINBRAYDGLM-UHFFFAOYSA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N,3-dimethyl-2-propan-2-ylbutanamide (CID 10130083) is N,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N,3-dimethyl-2-propan-2-ylbutanamide is CNC(=O)C(C(C)C)C(C)C.
What is the InChIKey of N,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is RNBYINBRAYDGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)8(7(3)4)9(11)10-5/h6-8H,1-5H3,(H,10,11).
What are the key properties of N,3-dimethyl-2-propan-2-ylbutanamide?
N,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 157.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 10130083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).