N-phenyl-2-(propylamino)propanamide

C12H18N2O — CID 43083688

IUPACN-phenyl-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O/c1-3-9-13-10(2)12(15)14-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,14,15)
InChIKeyDENITXZENVSYCJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.01
Rot. Bonds5

About N-phenyl-2-(propylamino)propanamide

N-phenyl-2-(propylamino)propanamide (PubChem CID 43083688) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-phenyl-2-(propylamino)propanamide.

Molecular Properties

Compound NameN-phenyl-2-(propylamino)propanamide
PubChem CID43083688
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-phenyl-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O/c1-3-9-13-10(2)12(15)14-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,14,15)
InChIKeyDENITXZENVSYCJ-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(propylamino)propanamide?
The IUPAC name of N-phenyl-2-(propylamino)propanamide (CID 43083688) is N-phenyl-2-(propylamino)propanamide.
What is the SMILES notation for N-phenyl-2-(propylamino)propanamide?
The canonical SMILES for N-phenyl-2-(propylamino)propanamide is CCCNC(C)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(propylamino)propanamide?
The InChIKey is DENITXZENVSYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-9-13-10(2)12(15)14-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,14,15).
What are the key properties of N-phenyl-2-(propylamino)propanamide?
N-phenyl-2-(propylamino)propanamide has a molecular weight of 206.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(propylamino)propanamide is sourced from PubChem (CID 43083688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).