2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide

C9H19ClN2O2 — CID 82110387

IUPAC2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide
SMILESCCN(CCO)C(C)CNC(=O)CCl
InChIInChI=1S/C9H19ClN2O2/c1-3-12(4-5-13)8(2)7-11-9(14)6-10/h8,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyBQPDYFZZNSFHNC-UHFFFAOYSA-N
MW222.72 g/mol
LogP0.04
Rot. Bonds7

About 2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide

2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide (PubChem CID 82110387) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide
PubChem CID82110387
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide
SMILESCCN(CCO)C(C)CNC(=O)CCl
InChIInChI=1S/C9H19ClN2O2/c1-3-12(4-5-13)8(2)7-11-9(14)6-10/h8,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyBQPDYFZZNSFHNC-UHFFFAOYSA-N
XLogP0.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 60686188
N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65034129
2-[ethyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60686110
N-ethyl-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
CID 62326642
2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
CID 62020833
2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692
methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate
CID 79407611
N-[2-(diethylamino)propyl]-2-ethylbutanamide
CID 78883396
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
2-chloro-N-(2,2-difluoroethyl)acetamide
CID 115349396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide (CID 82110387) is 2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide is CCN(CCO)C(C)CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide?
The InChIKey is BQPDYFZZNSFHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O2/c1-3-12(4-5-13)8(2)7-11-9(14)6-10/h8,13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide?
2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide has a molecular weight of 222.72 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]propyl]acetamide is sourced from PubChem (CID 82110387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).