N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide

C15H24N2O2 — CID 119405735

IUPACN-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OCCC(=O)NCCCN)c1
InChIInChI=1S/C15H24N2O2/c1-11-9-12(2)13(3)14(10-11)19-8-5-15(18)17-7-4-6-16/h9-10H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyPNEGWMPOFZLKRG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.85
Rot. Bonds7

About N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide

N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 119405735) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
PubChem CID119405735
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OCCC(=O)NCCCN)c1
InChIInChI=1S/C15H24N2O2/c1-11-9-12(2)13(3)14(10-11)19-8-5-15(18)17-7-4-6-16/h9-10H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyPNEGWMPOFZLKRG-UHFFFAOYSA-N
XLogP1.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119522177
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
CID 111539630
N-(2-aminoethyl)-2-[3-(2,3,5-trimethylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120603313
N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119534432
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602
N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride
CID 119555968
4-[[3-(2,3,5-trimethylphenoxy)propanoylamino]methyl]oxane-4-carboxamide
CID 56783010
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
CID 8567187
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one
CID 119662243

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide (CID 119405735) is N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(OCCC(=O)NCCCN)c1.
What is the InChIKey of N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is PNEGWMPOFZLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-9-12(2)13(3)14(10-11)19-8-5-15(18)17-7-4-6-16/h9-10H,4-8,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide?
N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 119405735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).