N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide

C14H20N2O2 — CID 167063045

IUPACN-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1C(N)=CCO
InChIInChI=1S/C14H20N2O2/c1-2-3-8-14(18)16-13-7-5-4-6-11(13)12(15)9-10-17/h4-7,9,17H,2-3,8,10,15H2,1H3,(H,16,18)
InChIKeyGPKFHTSYXPSUFM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.11
Rot. Bonds6

About N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide

N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide (PubChem CID 167063045) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide
PubChem CID167063045
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1C(N)=CCO
InChIInChI=1S/C14H20N2O2/c1-2-3-8-14(18)16-13-7-5-4-6-11(13)12(15)9-10-17/h4-7,9,17H,2-3,8,10,15H2,1H3,(H,16,18)
InChIKeyGPKFHTSYXPSUFM-UHFFFAOYSA-N
XLogP2.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide?
The IUPAC name of N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide (CID 167063045) is N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide.
What is the SMILES notation for N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide?
The canonical SMILES for N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide is CCCCC(=O)Nc1ccccc1C(N)=CCO.
What is the InChIKey of N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide?
The InChIKey is GPKFHTSYXPSUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-8-14(18)16-13-7-5-4-6-11(13)12(15)9-10-17/h4-7,9,17H,2-3,8,10,15H2,1H3,(H,16,18).
What are the key properties of N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide?
N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide has a molecular weight of 248.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-amino-3-hydroxyprop-1-enyl)phenyl]pentanamide is sourced from PubChem (CID 167063045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).