2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide

C10H22N4O3 — CID 55242786

IUPAC2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)CC(N)COC
InChIInChI=1S/C10H22N4O3/c1-7(9(15)13-10(16)12-2)14(3)5-8(11)6-17-4/h7-8H,5-6,11H2,1-4H3,(H2,12,13,15,16)
InChIKeyQNYOXIHASLZYNT-UHFFFAOYSA-N
MW246.31 g/mol
LogP-1.26
Rot. Bonds6

About 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide

2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 55242786) has the molecular formula C10H22N4O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID55242786
Molecular FormulaC10H22N4O3
Molecular Weight246.31 g/mol
Exact Mass246.17
IUPAC Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)CC(N)COC
InChIInChI=1S/C10H22N4O3/c1-7(9(15)13-10(16)12-2)14(3)5-8(11)6-17-4/h7-8H,5-6,11H2,1-4H3,(H2,12,13,15,16)
InChIKeyQNYOXIHASLZYNT-UHFFFAOYSA-N
XLogP-1.26
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide (CID 55242786) is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N(C)CC(N)COC.
What is the InChIKey of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is QNYOXIHASLZYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3/c1-7(9(15)13-10(16)12-2)14(3)5-8(11)6-17-4/h7-8H,5-6,11H2,1-4H3,(H2,12,13,15,16).
What are the key properties of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide?
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 246.31 g/mol, XLogP of -1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 55242786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).