2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide

C13H29N3O2 — CID 54956919

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNC(CN(C)C)C(C)C
InChIInChI=1S/C13H29N3O2/c1-10(2)12(8-16(4)5)14-7-13(17)15-11(3)9-18-6/h10-12,14H,7-9H2,1-6H3,(H,15,17)
InChIKeyJXCXJQLACBEZIV-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.31
Rot. Bonds9

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 54956919) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID54956919
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNC(CN(C)C)C(C)C
InChIInChI=1S/C13H29N3O2/c1-10(2)12(8-16(4)5)14-7-13(17)15-11(3)9-18-6/h10-12,14H,7-9H2,1-6H3,(H,15,17)
InChIKeyJXCXJQLACBEZIV-UHFFFAOYSA-N
XLogP0.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylbutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115627480
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-methylacetamide
CID 61480071
2-(4-hydroxybutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 83177784
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 62118570
2-(1-cyclopropylethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60696176
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 64605255
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 104891892
N-(1-methoxypropan-2-yl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723999
tert-butyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetate
CID 54958485
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 63760493

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide (CID 54956919) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNC(CN(C)C)C(C)C.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is JXCXJQLACBEZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-10(2)12(8-16(4)5)14-7-13(17)15-11(3)9-18-6/h10-12,14H,7-9H2,1-6H3,(H,15,17).
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 259.39 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 54956919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).