2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide

C13H26N2O3 — CID 79805275

IUPAC2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
SMILESCCC(C)(N)C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C13H26N2O3/c1-3-13(2,14)12(16)15-7-5-8-17-10-11-6-4-9-18-11/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeySCIFLCXEEWPEGX-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.82
Rot. Bonds8

About 2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide

2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide (PubChem CID 79805275) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
PubChem CID79805275
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
SMILESCCC(C)(N)C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C13H26N2O3/c1-3-13(2,14)12(16)15-7-5-8-17-10-11-6-4-9-18-11/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeySCIFLCXEEWPEGX-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
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-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
3-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111407782
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate
CID 115606970
tert-butyl 2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetate;hydroiodide
CID 111787414
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61275516
7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
CID 61274559
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide?
The IUPAC name of 2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide (CID 79805275) is 2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide?
The canonical SMILES for 2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide is CCC(C)(N)C(=O)NCCCOCC1CCCO1.
What is the InChIKey of 2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide?
The InChIKey is SCIFLCXEEWPEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-13(2,14)12(16)15-7-5-8-17-10-11-6-4-9-18-11/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide?
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide has a molecular weight of 258.36 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide is sourced from PubChem (CID 79805275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).