2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide

C15H33N3O2 — CID 43113238

IUPAC2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NCCN(C(C)C)C(C)C
InChIInChI=1S/C15H33N3O2/c1-12(2)18(13(3)4)10-9-16-14(5)15(19)17-8-7-11-20-6/h12-14,16H,7-11H2,1-6H3,(H,17,19)
InChIKeyBTFMDCMRYVVNOS-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.24
Rot. Bonds11

About 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide

2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 43113238) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
PubChem CID43113238
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Name2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NCCN(C(C)C)C(C)C
InChIInChI=1S/C15H33N3O2/c1-12(2)18(13(3)4)10-9-16-14(5)15(19)17-8-7-11-20-6/h12-14,16H,7-11H2,1-6H3,(H,17,19)
InChIKeyBTFMDCMRYVVNOS-UHFFFAOYSA-N
XLogP1.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60719502
N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide
CID 114127252
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
CID 81081228
N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide
CID 115760932
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]propanamide
CID 43086354
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771
2-(2-cyclopentyloxyethylamino)-N-(3-methoxypropyl)propanamide
CID 55259532
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
CID 81081227
2-[(2-amino-2-oxoethoxy)amino]-N-(3-methoxypropyl)propanamide
CID 112673851

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide (CID 43113238) is 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NCCN(C(C)C)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is BTFMDCMRYVVNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-12(2)18(13(3)4)10-9-16-14(5)15(19)17-8-7-11-20-6/h12-14,16H,7-11H2,1-6H3,(H,17,19).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide?
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 287.45 g/mol, XLogP of 1.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43113238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).