2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide

C13H29N3O3 — CID 66180822

IUPAC2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
SMILESCCN(CC)CCNC(C)(CC(OC)OC)C(N)=O
InChIInChI=1S/C13H29N3O3/c1-6-16(7-2)9-8-15-13(3,12(14)17)10-11(18-4)19-5/h11,15H,6-10H2,1-5H3,(H2,14,17)
InChIKeyNCMOAXBDUVMBFM-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.17
Rot. Bonds11

About 2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide

2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide (PubChem CID 66180822) has the molecular formula C13H29N3O3 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
PubChem CID66180822
Molecular FormulaC13H29N3O3
Molecular Weight275.39 g/mol
Exact Mass275.22
IUPAC Name2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
SMILESCCN(CC)CCNC(C)(CC(OC)OC)C(N)=O
InChIInChI=1S/C13H29N3O3/c1-6-16(7-2)9-8-15-13(3,12(14)17)10-11(18-4)19-5/h11,15H,6-10H2,1-5H3,(H2,14,17)
InChIKeyNCMOAXBDUVMBFM-UHFFFAOYSA-N
XLogP0.17
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide (CID 66180822) is 2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide is CCN(CC)CCNC(C)(CC(OC)OC)C(N)=O.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide?
The InChIKey is NCMOAXBDUVMBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3/c1-6-16(7-2)9-8-15-13(3,12(14)17)10-11(18-4)19-5/h11,15H,6-10H2,1-5H3,(H2,14,17).
What are the key properties of 2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide?
2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide has a molecular weight of 275.39 g/mol, XLogP of 0.17, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide is sourced from PubChem (CID 66180822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).