N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene

C34H58N4O4 — CID 143168437

IUPACN,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene
SMILESCCC(C)C(NC)C(=O)N(C)CC(=O)NCC=O.CCCNC.CCc1ccccc1OC(C)C.Cc1ccccc1
InChIInChI=1S/C12H23N3O3.C11H16O.C7H8.C4H11N/c1-5-9(2)11(13-3)12(18)15(4)8-10(17)14-6-7-16;1-4-10-7-5-6-8-11(10)12-9(2)3;1-7-5-3-2-4-6-7;1-3-4-5-2/h7,9,11,13H,5-6,8H2,1-4H3,(H,14,17);5-9H,4H2,1-3H3;2-6H,1H3;5H,3-4H2,1-2H3
InChIKeyBOADALTUSWXSQL-UHFFFAOYSA-N
MW586.86 g/mol
LogP5.04
Rot. Bonds13

About N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene

N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene (PubChem CID 143168437) has the molecular formula C34H58N4O4 and a molecular weight of 586.86 g/mol. Its IUPAC name is N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene.

Molecular Properties

Compound NameN,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene
PubChem CID143168437
Molecular FormulaC34H58N4O4
Molecular Weight586.86 g/mol
Exact Mass586.45
IUPAC NameN,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene
SMILESCCC(C)C(NC)C(=O)N(C)CC(=O)NCC=O.CCCNC.CCc1ccccc1OC(C)C.Cc1ccccc1
InChIInChI=1S/C12H23N3O3.C11H16O.C7H8.C4H11N/c1-5-9(2)11(13-3)12(18)15(4)8-10(17)14-6-7-16;1-4-10-7-5-6-8-11(10)12-9(2)3;1-7-5-3-2-4-6-7;1-3-4-5-2/h7,9,11,13H,5-6,8H2,1-4H3,(H,14,17);5-9H,4H2,1-3H3;2-6H,1H3;5H,3-4H2,1-2H3
InChIKeyBOADALTUSWXSQL-UHFFFAOYSA-N
XLogP5.04
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.86
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene?
The IUPAC name of N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene (CID 143168437) is N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene.
What is the SMILES notation for N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene?
The canonical SMILES for N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene is CCC(C)C(NC)C(=O)N(C)CC(=O)NCC=O.CCCNC.CCc1ccccc1OC(C)C.Cc1ccccc1.
What is the InChIKey of N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene?
The InChIKey is BOADALTUSWXSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3.C11H16O.C7H8.C4H11N/c1-5-9(2)11(13-3)12(18)15(4)8-10(17)14-6-7-16;1-4-10-7-5-6-8-11(10)12-9(2)3;1-7-5-3-2-4-6-7;1-3-4-5-2/h7,9,11,13H,5-6,8H2,1-4H3,(H,14,17);5-9H,4H2,1-3H3;2-6H,1H3;5H,3-4H2,1-2H3.
What are the key properties of N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene?
N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene has a molecular weight of 586.86 g/mol, XLogP of 5.04, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene is sourced from PubChem (CID 143168437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).