(2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide

C14H30N4O2 — CID 90738769

IUPAC(2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide
SMILESC[C@@H](C(=O)N(C)C)N(C)CCN(C)[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C14H30N4O2/c1-11(13(19)15(3)4)17(7)9-10-18(8)12(2)14(20)16(5)6/h11-12H,9-10H2,1-8H3/t11-,12-/m0/s1
InChIKeyWHUKIODOZJHOTM-RYUDHWBXSA-N
MW286.42 g/mol
LogP-0.20
Rot. Bonds7

About (2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide

(2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 90738769) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide
PubChem CID90738769
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name(2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide
SMILESC[C@@H](C(=O)N(C)C)N(C)CCN(C)[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C14H30N4O2/c1-11(13(19)15(3)4)17(7)9-10-18(8)12(2)14(20)16(5)6/h11-12H,9-10H2,1-8H3/t11-,12-/m0/s1
InChIKeyWHUKIODOZJHOTM-RYUDHWBXSA-N
XLogP-0.20
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide (CID 90738769) is (2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide is C[C@@H](C(=O)N(C)C)N(C)CCN(C)[C@@H](C)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is WHUKIODOZJHOTM-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-11(13(19)15(3)4)17(7)9-10-18(8)12(2)14(20)16(5)6/h11-12H,9-10H2,1-8H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide?
(2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 286.42 g/mol, XLogP of -0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylamino]ethyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 90738769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).