(2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide

C12H26N4O2 — CID 90851562

IUPAC(2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
SMILESCNC(=O)[C@H](C)N(C)CCN(C)[C@@H](C)C(=O)NC
InChIInChI=1S/C12H26N4O2/c1-9(11(17)13-3)15(5)7-8-16(6)10(2)12(18)14-4/h9-10H,7-8H2,1-6H3,(H,13,17)(H,14,18)/t9-,10-/m0/s1
InChIKeyNWJXYYZJGCQNJZ-UWVGGRQHSA-N
MW258.37 g/mol
LogP-0.88
Rot. Bonds7

About (2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide

(2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide (PubChem CID 90851562) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is (2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
PubChem CID90851562
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name(2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
SMILESCNC(=O)[C@H](C)N(C)CCN(C)[C@@H](C)C(=O)NC
InChIInChI=1S/C12H26N4O2/c1-9(11(17)13-3)15(5)7-8-16(6)10(2)12(18)14-4/h9-10H,7-8H2,1-6H3,(H,13,17)(H,14,18)/t9-,10-/m0/s1
InChIKeyNWJXYYZJGCQNJZ-UWVGGRQHSA-N
XLogP-0.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide?
The IUPAC name of (2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide (CID 90851562) is (2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide?
The canonical SMILES for (2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide is CNC(=O)[C@H](C)N(C)CCN(C)[C@@H](C)C(=O)NC.
What is the InChIKey of (2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide?
The InChIKey is NWJXYYZJGCQNJZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-9(11(17)13-3)15(5)7-8-16(6)10(2)12(18)14-4/h9-10H,7-8H2,1-6H3,(H,13,17)(H,14,18)/t9-,10-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide?
(2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide has a molecular weight of 258.37 g/mol, XLogP of -0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide is sourced from PubChem (CID 90851562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).