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

C13H27ClN2O3 — CID 120501461

IUPAC3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NCCCOCC1CCOC1.Cl
InChIInChI=1S/C13H26N2O3.ClH/c1-10(11(2)14)13(16)15-5-3-6-17-8-12-4-7-18-9-12;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H
InChIKeyNSOPUMVDLAOULG-UHFFFAOYSA-N
MW294.82 g/mol
LogP0.95
Rot. Bonds8

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

3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride (PubChem CID 120501461) has the molecular formula C13H27ClN2O3 and a molecular weight of 294.82 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride
PubChem CID120501461
Molecular FormulaC13H27ClN2O3
Molecular Weight294.82 g/mol
Exact Mass294.17
IUPAC Name3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NCCCOCC1CCOC1.Cl
InChIInChI=1S/C13H26N2O3.ClH/c1-10(11(2)14)13(16)15-5-3-6-17-8-12-4-7-18-9-12;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H
InChIKeyNSOPUMVDLAOULG-UHFFFAOYSA-N
XLogP0.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-N-[3-(oxan-4-ylmethoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119800003
2-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]pentanamide;hydrochloride
CID 119800069
N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119800061
methyl 2-methyl-3-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]propanoate;hydroiodide
CID 111645665
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
1-(3-methoxypropyl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647528
3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
CID 119800059
1-(1-methoxypropan-2-yl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111773916
N-[2-(oxolan-3-ylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62582382
1-ethyl-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645237
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111648225
4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide
CID 95635259

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride (CID 120501461) is 3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride is CC(N)C(C)C(=O)NCCCOCC1CCOC1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride?
The InChIKey is NSOPUMVDLAOULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3.ClH/c1-10(11(2)14)13(16)15-5-3-6-17-8-12-4-7-18-9-12;/h10-12H,3-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride?
3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride has a molecular weight of 294.82 g/mol, XLogP of 0.95, 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-ylmethoxy)propyl]butanamide;hydrochloride is sourced from PubChem (CID 120501461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).