N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide

C12H24N2O3 — CID 81131141

IUPACN-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
SMILESCCC(C)NC(=O)CNCC1(O)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-3-10(2)14-11(15)8-13-9-12(16)4-6-17-7-5-12/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyWOIZTGQTTIARMS-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.03
Rot. Bonds6

About N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide

N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide (PubChem CID 81131141) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
PubChem CID81131141
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
SMILESCCC(C)NC(=O)CNCC1(O)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-3-10(2)14-11(15)8-13-9-12(16)4-6-17-7-5-12/h10,13,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyWOIZTGQTTIARMS-UHFFFAOYSA-N
XLogP0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide (CID 81131141) is N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide is CCC(C)NC(=O)CNCC1(O)CCOCC1.
What is the InChIKey of N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide?
The InChIKey is WOIZTGQTTIARMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-10(2)14-11(15)8-13-9-12(16)4-6-17-7-5-12/h10,13,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide?
N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide has a molecular weight of 244.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide is sourced from PubChem (CID 81131141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).