N-[[bis(2-hydroxypropyl)amino]methyl]acetamide

C9H20N2O3 — CID 59360323

IUPACN-[[bis(2-hydroxypropyl)amino]methyl]acetamide
SMILESCC(=O)NCN(CC(C)O)CC(C)O
InChIInChI=1S/C9H20N2O3/c1-7(12)4-11(5-8(2)13)6-10-9(3)14/h7-8,12-13H,4-6H2,1-3H3,(H,10,14)
InChIKeyKUWCJBJOCBGLAN-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.86
Rot. Bonds6

About N-[[bis(2-hydroxypropyl)amino]methyl]acetamide

N-[[bis(2-hydroxypropyl)amino]methyl]acetamide (PubChem CID 59360323) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[[bis(2-hydroxypropyl)amino]methyl]acetamide.

Molecular Properties

Compound NameN-[[bis(2-hydroxypropyl)amino]methyl]acetamide
PubChem CID59360323
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN-[[bis(2-hydroxypropyl)amino]methyl]acetamide
SMILESCC(=O)NCN(CC(C)O)CC(C)O
InChIInChI=1S/C9H20N2O3/c1-7(12)4-11(5-8(2)13)6-10-9(3)14/h7-8,12-13H,4-6H2,1-3H3,(H,10,14)
InChIKeyKUWCJBJOCBGLAN-UHFFFAOYSA-N
XLogP-0.86
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[bis(2-hydroxypropyl)amino]methyl]acetamide?
The IUPAC name of N-[[bis(2-hydroxypropyl)amino]methyl]acetamide (CID 59360323) is N-[[bis(2-hydroxypropyl)amino]methyl]acetamide.
What is the SMILES notation for N-[[bis(2-hydroxypropyl)amino]methyl]acetamide?
The canonical SMILES for N-[[bis(2-hydroxypropyl)amino]methyl]acetamide is CC(=O)NCN(CC(C)O)CC(C)O.
What is the InChIKey of N-[[bis(2-hydroxypropyl)amino]methyl]acetamide?
The InChIKey is KUWCJBJOCBGLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(12)4-11(5-8(2)13)6-10-9(3)14/h7-8,12-13H,4-6H2,1-3H3,(H,10,14).
What are the key properties of N-[[bis(2-hydroxypropyl)amino]methyl]acetamide?
N-[[bis(2-hydroxypropyl)amino]methyl]acetamide has a molecular weight of 204.27 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[bis(2-hydroxypropyl)amino]methyl]acetamide is sourced from PubChem (CID 59360323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).