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

C13H26N2O3 — CID 119812727

IUPAC2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCCCOC1CCOC1
InChIInChI=1S/C13H26N2O3/c1-3-10(2)12(14)13(16)15-6-4-7-18-11-5-8-17-9-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyVKBDXTOEKQNTQK-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.67
Rot. Bonds8

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

2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide (PubChem CID 119812727) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
PubChem CID119812727
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCCCOC1CCOC1
InChIInChI=1S/C13H26N2O3/c1-3-10(2)12(14)13(16)15-6-4-7-18-11-5-8-17-9-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyVKBDXTOEKQNTQK-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.67
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

2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride
CID 119340229
3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
CID 119812709
2-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]propanamide;hydrochloride
CID 119340219
(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
CID 61155526
(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119340221
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
2-ethyl-N-[3-(oxolan-3-yloxy)propyl]butan-1-amine
CID 115757125
4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674287
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide (CID 119812727) is 2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide is CCC(C)C(N)C(=O)NCCCOC1CCOC1.
What is the InChIKey of 2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide?
The InChIKey is VKBDXTOEKQNTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-10(2)12(14)13(16)15-6-4-7-18-11-5-8-17-9-11/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide?
2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide has a molecular weight of 258.36 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide is sourced from PubChem (CID 119812727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).