2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide

C14H29N3O2 — CID 3229646

IUPAC2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCN(CC)CCNC(C)C(=O)NCC1CCCO1
InChIInChI=1S/C14H29N3O2/c1-4-17(5-2)9-8-15-12(3)14(18)16-11-13-7-6-10-19-13/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyGMFQRXLSWZMPJG-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.60
Rot. Bonds9

About 2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide

2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 3229646) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID3229646
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCN(CC)CCNC(C)C(=O)NCC1CCCO1
InChIInChI=1S/C14H29N3O2/c1-4-17(5-2)9-8-15-12(3)14(18)16-11-13-7-6-10-19-13/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyGMFQRXLSWZMPJG-UHFFFAOYSA-N
XLogP0.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide (CID 3229646) is 2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide is CCN(CC)CCNC(C)C(=O)NCC1CCCO1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is GMFQRXLSWZMPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-17(5-2)9-8-15-12(3)14(18)16-11-13-7-6-10-19-13/h12-13,15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide?
2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 271.40 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 3229646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).