N-(1-phenylbutan-2-yl)propanamide

C13H19NO — CID 2826980

IUPACN-(1-phenylbutan-2-yl)propanamide
SMILESCCC(=O)NC(CC)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-3-12(14-13(15)4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,14,15)
InChIKeySHSUMUHTZMVKHB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.53
Rot. Bonds5

About N-(1-phenylbutan-2-yl)propanamide

N-(1-phenylbutan-2-yl)propanamide (PubChem CID 2826980) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)propanamide
PubChem CID2826980
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(1-phenylbutan-2-yl)propanamide
SMILESCCC(=O)NC(CC)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-3-12(14-13(15)4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,14,15)
InChIKeySHSUMUHTZMVKHB-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 N-(1-phenylbutan-2-yl)propanamide?
The IUPAC name of N-(1-phenylbutan-2-yl)propanamide (CID 2826980) is N-(1-phenylbutan-2-yl)propanamide.
What is the SMILES notation for N-(1-phenylbutan-2-yl)propanamide?
The canonical SMILES for N-(1-phenylbutan-2-yl)propanamide is CCC(=O)NC(CC)Cc1ccccc1.
What is the InChIKey of N-(1-phenylbutan-2-yl)propanamide?
The InChIKey is SHSUMUHTZMVKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-12(14-13(15)4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,14,15).
What are the key properties of N-(1-phenylbutan-2-yl)propanamide?
N-(1-phenylbutan-2-yl)propanamide 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 N-(1-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 2826980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).