3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide

C17H26N2O3 — CID 119812709

IUPAC3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
SMILESCC(C(=O)NCCCOC1CCOC1)C(N)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-13(16(18)14-6-3-2-4-7-14)17(20)19-9-5-10-22-15-8-11-21-12-15/h2-4,6-7,13,15-16H,5,8-12,18H2,1H3,(H,19,20)
InChIKeyLRWFICHEOWAMSZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.63
Rot. Bonds8

About 3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide

3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide (PubChem CID 119812709) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
PubChem CID119812709
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
SMILESCC(C(=O)NCCCOC1CCOC1)C(N)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-13(16(18)14-6-3-2-4-7-14)17(20)19-9-5-10-22-15-8-11-21-12-15/h2-4,6-7,13,15-16H,5,8-12,18H2,1H3,(H,19,20)
InChIKeyLRWFICHEOWAMSZ-UHFFFAOYSA-N
XLogP1.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenylpropanamide
CID 119812757
(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119340221
3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119800003
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
CID 119812727
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride
CID 119340229
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide
CID 120668843
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
CID 119772263

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide (CID 119812709) is 3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide is CC(C(=O)NCCCOC1CCOC1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide?
The InChIKey is LRWFICHEOWAMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(16(18)14-6-3-2-4-7-14)17(20)19-9-5-10-22-15-8-11-21-12-15/h2-4,6-7,13,15-16H,5,8-12,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119812709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).