2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide

C14H28N2O2 — CID 95344913

IUPAC2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide
SMILESCCCN(CC(=O)NC(C)C)C[C@@H]1CCCCO1
InChIInChI=1S/C14H28N2O2/c1-4-8-16(11-14(17)15-12(2)3)10-13-7-5-6-9-18-13/h12-13H,4-11H2,1-3H3,(H,15,17)/t13-/m0/s1
InChIKeyJOKMSMUAUCEVBK-ZDUSSCGKSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds7

About 2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide

2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide (PubChem CID 95344913) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide
PubChem CID95344913
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide
SMILESCCCN(CC(=O)NC(C)C)C[C@@H]1CCCCO1
InChIInChI=1S/C14H28N2O2/c1-4-8-16(11-14(17)15-12(2)3)10-13-7-5-6-9-18-13/h12-13H,4-11H2,1-3H3,(H,15,17)/t13-/m0/s1
InChIKeyJOKMSMUAUCEVBK-ZDUSSCGKSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(butan-2-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82327343
N'-hydroxy-2-[oxan-2-ylmethyl(propyl)amino]ethanimidamide
CID 76927473
2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid
CID 82328121
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
CID 119777186
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride
CID 119777185
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide
CID 86901393
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
3-[carboxymethyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82327489
3-[butyl(oxolan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82328219

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide (CID 95344913) is 2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide is CCCN(CC(=O)NC(C)C)C[C@@H]1CCCCO1.
What is the InChIKey of 2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide?
The InChIKey is JOKMSMUAUCEVBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-8-16(11-14(17)15-12(2)3)10-13-7-5-6-9-18-13/h12-13H,4-11H2,1-3H3,(H,15,17)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide?
2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide has a molecular weight of 256.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 95344913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).