4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide

C15H28N2O3 — CID 80543187

IUPAC4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide
SMILESCC(CCN)C(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H28N2O3/c1-12(6-7-16)15(18)17(10-13-4-2-8-19-13)11-14-5-3-9-20-14/h12-14H,2-11,16H2,1H3
InChIKeyOJFYFSLIZKAZHY-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.16
Rot. Bonds7

About 4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide

4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide (PubChem CID 80543187) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide
PubChem CID80543187
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide
SMILESCC(CCN)C(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H28N2O3/c1-12(6-7-16)15(18)17(10-13-4-2-8-19-13)11-14-5-3-9-20-14/h12-14H,2-11,16H2,1H3
InChIKeyOJFYFSLIZKAZHY-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 103831500
methyl 3-[2-methylpentanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964716
5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 82850780
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61435057
4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide
CID 54873321
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 61435299
4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide
CID 80543915
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide (CID 80543187) is 4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide is CC(CCN)C(=O)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide?
The InChIKey is OJFYFSLIZKAZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(6-7-16)15(18)17(10-13-4-2-8-19-13)11-14-5-3-9-20-14/h12-14H,2-11,16H2,1H3.
What are the key properties of 4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide?
4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide has a molecular weight of 284.40 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 80543187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).