2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

C15H31N3O2 — CID 103189926

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCCN(CC(=O)NC(C(C)=O)C(C)C)C(C)CN(C)C
InChIInChI=1S/C15H31N3O2/c1-8-18(12(4)9-17(6)7)10-14(20)16-15(11(2)3)13(5)19/h11-12,15H,8-10H2,1-7H3,(H,16,20)
InChIKeyXBEWPYNCVNFACL-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.99
Rot. Bonds9

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 103189926) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID103189926
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCCN(CC(=O)NC(C(C)=O)C(C)C)C(C)CN(C)C
InChIInChI=1S/C15H31N3O2/c1-8-18(12(4)9-17(6)7)10-14(20)16-15(11(2)3)13(5)19/h11-12,15H,8-10H2,1-7H3,(H,16,20)
InChIKeyXBEWPYNCVNFACL-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62035731
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 113239606
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62014229
2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82951079
2-[1-cyclopropylethyl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793111
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 79662387
2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78974200
2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64640143
N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
CID 103187880
2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793356
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55210363

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 103189926) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is CCN(CC(=O)NC(C(C)=O)C(C)C)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is XBEWPYNCVNFACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-8-18(12(4)9-17(6)7)10-14(20)16-15(11(2)3)13(5)19/h11-12,15H,8-10H2,1-7H3,(H,16,20).
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 285.43 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 103189926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).