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

C12H25N3O2 — CID 3229624

IUPAC2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(NCCN(C)C)C(=O)NCC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-10(13-6-7-15(2)3)12(16)14-9-11-5-4-8-17-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyHLVMXTGHDWAPDL-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.18
Rot. Bonds7

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

2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 3229624) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID3229624
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(NCCN(C)C)C(=O)NCC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-10(13-6-7-15(2)3)12(16)14-9-11-5-4-8-17-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyHLVMXTGHDWAPDL-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide (CID 3229624) is 2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide is CC(NCCN(C)C)C(=O)NCC1CCCO1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is HLVMXTGHDWAPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(13-6-7-15(2)3)12(16)14-9-11-5-4-8-17-11/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide?
2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 243.35 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 3229624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).