N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide

C17H27NO — CID 11841279

IUPACN-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCC(C)NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H27NO/c1-6-13(4)18-17(19)14(5)16-9-7-15(8-10-16)11-12(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,18,19)
InChIKeyPPXIKLMMTTXNLM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.90
Rot. Bonds6

About N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide

N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 11841279) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID11841279
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCC(C)NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H27NO/c1-6-13(4)18-17(19)14(5)16-9-7-15(8-10-16)11-12(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,18,19)
InChIKeyPPXIKLMMTTXNLM-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide (CID 11841279) is N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide is CCC(C)NC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is PPXIKLMMTTXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-13(4)18-17(19)14(5)16-9-7-15(8-10-16)11-12(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,18,19).
What are the key properties of N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide?
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 261.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 11841279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).