4-phenyl-N-propan-2-ylbutanamide

C13H19NO — CID 885953

IUPAC4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)14-13(15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,15)
InChIKeyDPNMDWHRLSMBCM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.53
Rot. Bonds5

About 4-phenyl-N-propan-2-ylbutanamide

4-phenyl-N-propan-2-ylbutanamide (PubChem CID 885953) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-phenyl-N-propan-2-ylbutanamide
PubChem CID885953
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)14-13(15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,15)
InChIKeyDPNMDWHRLSMBCM-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of 4-phenyl-N-propan-2-ylbutanamide (CID 885953) is 4-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for 4-phenyl-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCc1ccccc1.
What is the InChIKey of 4-phenyl-N-propan-2-ylbutanamide?
The InChIKey is DPNMDWHRLSMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)14-13(15)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,15).
What are the key properties of 4-phenyl-N-propan-2-ylbutanamide?
4-phenyl-N-propan-2-ylbutanamide has a molecular weight of 205.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 885953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).