N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide

C9H20N2O3 — CID 143571898

IUPACN-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(CCO)CCO
InChIInChI=1S/C9H20N2O3/c1-9(14)10-3-2-4-11(5-7-12)6-8-13/h12-13H,2-8H2,1H3,(H,10,14)
InChIKeyWZKFRPJFGUSEHT-UHFFFAOYSA-N
MW204.27 g/mol
LogP-1.20
Rot. Bonds8

About N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide

N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide (PubChem CID 143571898) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
PubChem CID143571898
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(CCO)CCO
InChIInChI=1S/C9H20N2O3/c1-9(14)10-3-2-4-11(5-7-12)6-8-13/h12-13H,2-8H2,1H3,(H,10,14)
InChIKeyWZKFRPJFGUSEHT-UHFFFAOYSA-N
XLogP-1.20
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-acetamidopropyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329659
3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
CID 19088424
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
3-[3-acetamidopropyl(propyl)amino]propanoic acid
CID 82328102
N-(3-acetamidopropyl)acetamide
CID 5147555
3-[2-acetamidoethyl(2-hydroxyethyl)amino]-N-oxopropanamide
CID 142305680
sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate
CID 158747467
N-[2-[2-hydroxyethyl(prop-2-enyl)amino]ethyl]acetamide
CID 115633464
N-[3-[ethyl(2-methoxyethyl)amino]propyl]acetamide
CID 89358934
6-[bis(2-hydroxyethyl)amino]hexan-2-one
CID 62050853
N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 113237459
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide?
The IUPAC name of N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide (CID 143571898) is N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide is CC(=O)NCCCN(CCO)CCO.
What is the InChIKey of N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide?
The InChIKey is WZKFRPJFGUSEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(14)10-3-2-4-11(5-7-12)6-8-13/h12-13H,2-8H2,1H3,(H,10,14).
What are the key properties of N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide?
N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide has a molecular weight of 204.27 g/mol, XLogP of -1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide is sourced from PubChem (CID 143571898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).