2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide

C14H29NO — CID 3016608

IUPAC2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide
SMILESCCC(C)C(C)(C(=O)NC(C)C)C(C)CC
InChIInChI=1S/C14H29NO/c1-8-11(5)14(7,12(6)9-2)13(16)15-10(3)4/h10-12H,8-9H2,1-7H3,(H,15,16)
InChIKeyTUZDHGXGZZMZQV-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.61
Rot. Bonds6

About 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide

2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide (PubChem CID 3016608) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide
PubChem CID3016608
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide
SMILESCCC(C)C(C)(C(=O)NC(C)C)C(C)CC
InChIInChI=1S/C14H29NO/c1-8-11(5)14(7,12(6)9-2)13(16)15-10(3)4/h10-12H,8-9H2,1-7H3,(H,15,16)
InChIKeyTUZDHGXGZZMZQV-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide?
The IUPAC name of 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide (CID 3016608) is 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide?
The canonical SMILES for 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide is CCC(C)C(C)(C(=O)NC(C)C)C(C)CC.
What is the InChIKey of 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide?
The InChIKey is TUZDHGXGZZMZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-8-11(5)14(7,12(6)9-2)13(16)15-10(3)4/h10-12H,8-9H2,1-7H3,(H,15,16).
What are the key properties of 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide?
2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide has a molecular weight of 227.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2,3-dimethyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 3016608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).