N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide

C9H17N3O4 — CID 61024473

IUPACN-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide
SMILESCC(NCC1COCCO1)C(=O)NC(N)=O
InChIInChI=1S/C9H17N3O4/c1-6(8(13)12-9(10)14)11-4-7-5-15-2-3-16-7/h6-7,11H,2-5H2,1H3,(H3,10,12,13,14)
InChIKeyJHZPWUSXLZZVKJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.43
Rot. Bonds4

About N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide

N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide (PubChem CID 61024473) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide
PubChem CID61024473
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide
SMILESCC(NCC1COCCO1)C(=O)NC(N)=O
InChIInChI=1S/C9H17N3O4/c1-6(8(13)12-9(10)14)11-4-7-5-15-2-3-16-7/h6-7,11H,2-5H2,1H3,(H3,10,12,13,14)
InChIKeyJHZPWUSXLZZVKJ-UHFFFAOYSA-N
XLogP-1.43
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide?
The IUPAC name of N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide (CID 61024473) is N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide?
The canonical SMILES for N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide is CC(NCC1COCCO1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide?
The InChIKey is JHZPWUSXLZZVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-6(8(13)12-9(10)14)11-4-7-5-15-2-3-16-7/h6-7,11H,2-5H2,1H3,(H3,10,12,13,14).
What are the key properties of N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide?
N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide has a molecular weight of 231.25 g/mol, XLogP of -1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(1,4-dioxan-2-ylmethylamino)propanamide is sourced from PubChem (CID 61024473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).