2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide

C12H25N3O4 — CID 62015752

IUPAC2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCOCC(O)CN(C)CC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C12H25N3O4/c1-9(2)5-13-12(18)14-11(17)7-15(3)6-10(16)8-19-4/h9-10,16H,5-8H2,1-4H3,(H2,13,14,17,18)
InChIKeyOCVYGHYAUFLZBO-UHFFFAOYSA-N
MW275.35 g/mol
LogP-0.59
Rot. Bonds8

About 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 62015752) has the molecular formula C12H25N3O4 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID62015752
Molecular FormulaC12H25N3O4
Molecular Weight275.35 g/mol
Exact Mass275.18
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCOCC(O)CN(C)CC(=O)NC(=O)NCC(C)C
InChIInChI=1S/C12H25N3O4/c1-9(2)5-13-12(18)14-11(17)7-15(3)6-10(16)8-19-4/h9-10,16H,5-8H2,1-4H3,(H2,13,14,17,18)
InChIKeyOCVYGHYAUFLZBO-UHFFFAOYSA-N
XLogP-0.59
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
CID 62014011
N-(cyclopropylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62016128
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 78964889
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 81491077
N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334696
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 62014386
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 62013818
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
CID 62041400
2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 111462499

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide (CID 62015752) is 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide is COCC(O)CN(C)CC(=O)NC(=O)NCC(C)C.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is OCVYGHYAUFLZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4/c1-9(2)5-13-12(18)14-11(17)7-15(3)6-10(16)8-19-4/h9-10,16H,5-8H2,1-4H3,(H2,13,14,17,18).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of -0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 62015752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).