3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide

C13H26N2O2 — CID 120502254

IUPAC3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
SMILESCC(C)C1OCCC1CNC(=O)C(C)C(C)N
InChIInChI=1S/C13H26N2O2/c1-8(2)12-11(5-6-17-12)7-15-13(16)9(3)10(4)14/h8-12H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyQPNBGGQLVLFDBB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.15
Rot. Bonds5

About 3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide

3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide (PubChem CID 120502254) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
PubChem CID120502254
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
SMILESCC(C)C1OCCC1CNC(=O)C(C)C(C)N
InChIInChI=1S/C13H26N2O2/c1-8(2)12-11(5-6-17-12)7-15-13(16)9(3)10(4)14/h8-12H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyQPNBGGQLVLFDBB-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]butanamide;hydrochloride
CID 120502267
2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
(2S)-2-amino-3,3-dimethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide;hydrochloride
CID 119819182
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
2-amino-3-methyl-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 119819588
3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride
CID 120501252
1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079352
9-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991798
2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid
CID 122005193
1-(1-cyclopropylpropan-2-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129006442
N-[(2-propan-2-yloxolan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119819204

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide (CID 120502254) is 3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide is CC(C)C1OCCC1CNC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide?
The InChIKey is QPNBGGQLVLFDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-8(2)12-11(5-6-17-12)7-15-13(16)9(3)10(4)14/h8-12H,5-7,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide?
3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 120502254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).