2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide

C15H32N2O — CID 138690142

IUPAC2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide
SMILESCCC(C)C(=O)NC(C)(C)C(C)(C)CNC(C)C
InChIInChI=1S/C15H32N2O/c1-9-12(4)13(18)17-15(7,8)14(5,6)10-16-11(2)3/h11-12,16H,9-10H2,1-8H3,(H,17,18)
InChIKeyINJVLEACUSKMEV-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.95
Rot. Bonds7

About 2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide

2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide (PubChem CID 138690142) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide
PubChem CID138690142
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide
SMILESCCC(C)C(=O)NC(C)(C)C(C)(C)CNC(C)C
InChIInChI=1S/C15H32N2O/c1-9-12(4)13(18)17-15(7,8)14(5,6)10-16-11(2)3/h11-12,16H,9-10H2,1-8H3,(H,17,18)
InChIKeyINJVLEACUSKMEV-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide?
The IUPAC name of 2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide (CID 138690142) is 2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide.
What is the SMILES notation for 2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide?
The canonical SMILES for 2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide is CCC(C)C(=O)NC(C)(C)C(C)(C)CNC(C)C.
What is the InChIKey of 2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide?
The InChIKey is INJVLEACUSKMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-9-12(4)13(18)17-15(7,8)14(5,6)10-16-11(2)3/h11-12,16H,9-10H2,1-8H3,(H,17,18).
What are the key properties of 2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide?
2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide has a molecular weight of 256.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2,3,3-trimethyl-4-(propan-2-ylamino)butan-2-yl]butanamide is sourced from PubChem (CID 138690142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).