2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide

C11H21NO — CID 88580848

IUPAC2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide
SMILESC=C(C)N(C(=O)C(C)CC)C(C)C
InChIInChI=1S/C11H21NO/c1-7-10(6)11(13)12(8(2)3)9(4)5/h9-10H,2,7H2,1,3-6H3
InChIKeyQDIUFQTXBIWAKJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.80
Rot. Bonds4

About 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide

2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide (PubChem CID 88580848) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide
PubChem CID88580848
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide
SMILESC=C(C)N(C(=O)C(C)CC)C(C)C
InChIInChI=1S/C11H21NO/c1-7-10(6)11(13)12(8(2)3)9(4)5/h9-10H,2,7H2,1,3-6H3
InChIKeyQDIUFQTXBIWAKJ-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide?
The IUPAC name of 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide (CID 88580848) is 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide is C=C(C)N(C(=O)C(C)CC)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide?
The InChIKey is QDIUFQTXBIWAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-10(6)11(13)12(8(2)3)9(4)5/h9-10H,2,7H2,1,3-6H3.
What are the key properties of 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide?
2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide has a molecular weight of 183.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-N-prop-1-en-2-ylbutanamide is sourced from PubChem (CID 88580848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).