2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide

C11H22N2O3 — CID 61024472

IUPAC2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1COCCO1
InChIInChI=1S/C11H22N2O3/c1-3-4-12-11(14)9(2)13-7-10-8-15-5-6-16-10/h9-10,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyORUKPZHCWHCLBX-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.09
Rot. Bonds6

About 2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide

2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide (PubChem CID 61024472) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide
PubChem CID61024472
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1COCCO1
InChIInChI=1S/C11H22N2O3/c1-3-4-12-11(14)9(2)13-7-10-8-15-5-6-16-10/h9-10,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyORUKPZHCWHCLBX-UHFFFAOYSA-N
XLogP-0.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide
CID 54907409
1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61023563
2-(1,4-dioxan-2-ylmethylcarbamoylamino)propanoic acid
CID 61209591
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033
(2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide
CID 167858059
N-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 62351557
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
(2S)-2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961450
N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine
CID 62535870
2-(oxolan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 43086819
N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide
CID 114105488
2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
CID 61266429

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide?
The IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide (CID 61024472) is 2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide is CCCNC(=O)C(C)NCC1COCCO1.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide?
The InChIKey is ORUKPZHCWHCLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-4-12-11(14)9(2)13-7-10-8-15-5-6-16-10/h9-10,13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide?
2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide has a molecular weight of 230.31 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide is sourced from PubChem (CID 61024472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).