N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide

C18H36N4O3 — CID 178007857

IUPACN-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide
SMILESCC(=O)NCC(CNC(=O)C(C)C)(CNC(=O)C(C)C)NCC(C)C
InChIInChI=1S/C18H36N4O3/c1-12(2)8-22-18(9-19-15(7)23,10-20-16(24)13(3)4)11-21-17(25)14(5)6/h12-14,22H,8-11H2,1-7H3,(H,19,23)(H,20,24)(H,21,25)
InChIKeyRKXCEXUTYPQFCR-UHFFFAOYSA-N
MW356.51 g/mol
LogP0.65
Rot. Bonds11

About N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide

N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide (PubChem CID 178007857) has the molecular formula C18H36N4O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide
PubChem CID178007857
Molecular FormulaC18H36N4O3
Molecular Weight356.51 g/mol
Exact Mass356.28
IUPAC NameN-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide
SMILESCC(=O)NCC(CNC(=O)C(C)C)(CNC(=O)C(C)C)NCC(C)C
InChIInChI=1S/C18H36N4O3/c1-12(2)8-22-18(9-19-15(7)23,10-20-16(24)13(3)4)11-21-17(25)14(5)6/h12-14,22H,8-11H2,1-7H3,(H,19,23)(H,20,24)(H,21,25)
InChIKeyRKXCEXUTYPQFCR-UHFFFAOYSA-N
XLogP0.65
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide?
The IUPAC name of N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide (CID 178007857) is N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide is CC(=O)NCC(CNC(=O)C(C)C)(CNC(=O)C(C)C)NCC(C)C.
What is the InChIKey of N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide?
The InChIKey is RKXCEXUTYPQFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O3/c1-12(2)8-22-18(9-19-15(7)23,10-20-16(24)13(3)4)11-21-17(25)14(5)6/h12-14,22H,8-11H2,1-7H3,(H,19,23)(H,20,24)(H,21,25).
What are the key properties of N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide?
N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide has a molecular weight of 356.51 g/mol, XLogP of 0.65, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acetamidomethyl)-3-(2-methylpropanoylamino)-2-(2-methylpropylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 178007857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).