N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide

C14H28N2O3 — CID 119605686

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCC(C)C(C)(CN)NC(=O)CCOCC1CCCO1
InChIInChI=1S/C14H28N2O3/c1-11(2)14(3,10-15)16-13(17)6-8-18-9-12-5-4-7-19-12/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyJIYQJKAGXIPUHJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.06
Rot. Bonds8

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 119605686) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID119605686
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCC(C)C(C)(CN)NC(=O)CCOCC1CCCO1
InChIInChI=1S/C14H28N2O3/c1-11(2)14(3,10-15)16-13(17)6-8-18-9-12-5-4-7-19-12/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyJIYQJKAGXIPUHJ-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.06
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

2,2-dimethyl-3-[3-(oxolan-2-ylmethoxy)propanoylamino]propanoic acid
CID 119249846
N-[2-(aminomethyl)cyclohexyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 119609391
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
CID 119606115
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 78876204
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 113284015
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
CID 119631117

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide (CID 119605686) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide is CC(C)C(C)(CN)NC(=O)CCOCC1CCCO1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is JIYQJKAGXIPUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)14(3,10-15)16-13(17)6-8-18-9-12-5-4-7-19-12/h11-12H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 272.39 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 119605686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).