4-chloro-N,N-bis(2-hydroxyethyl)butanamide

C8H16ClNO3 — CID 63307970

IUPAC4-chloro-N,N-bis(2-hydroxyethyl)butanamide
SMILESO=C(CCCCl)N(CCO)CCO
InChIInChI=1S/C8H16ClNO3/c9-3-1-2-8(13)10(4-6-11)5-7-12/h11-12H,1-7H2
InChIKeyUWYZDQYLGIFXRE-UHFFFAOYSA-N
MW209.67 g/mol
LogP-0.18
Rot. Bonds7

About 4-chloro-N,N-bis(2-hydroxyethyl)butanamide

4-chloro-N,N-bis(2-hydroxyethyl)butanamide (PubChem CID 63307970) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 4-chloro-N,N-bis(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N,N-bis(2-hydroxyethyl)butanamide
PubChem CID63307970
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name4-chloro-N,N-bis(2-hydroxyethyl)butanamide
SMILESO=C(CCCCl)N(CCO)CCO
InChIInChI=1S/C8H16ClNO3/c9-3-1-2-8(13)10(4-6-11)5-7-12/h11-12H,1-7H2
InChIKeyUWYZDQYLGIFXRE-UHFFFAOYSA-N
XLogP-0.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 5-0.18
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

N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277
N,N-bis(2-hydroxyethyl)hex-5-enamide
CID 58150290
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251
3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane
CID 168940710
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
CID 139337163
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
N,N-bis(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 61235441
N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 61234331

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-bis(2-hydroxyethyl)butanamide?
The IUPAC name of 4-chloro-N,N-bis(2-hydroxyethyl)butanamide (CID 63307970) is 4-chloro-N,N-bis(2-hydroxyethyl)butanamide.
What is the SMILES notation for 4-chloro-N,N-bis(2-hydroxyethyl)butanamide?
The canonical SMILES for 4-chloro-N,N-bis(2-hydroxyethyl)butanamide is O=C(CCCCl)N(CCO)CCO.
What is the InChIKey of 4-chloro-N,N-bis(2-hydroxyethyl)butanamide?
The InChIKey is UWYZDQYLGIFXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3/c9-3-1-2-8(13)10(4-6-11)5-7-12/h11-12H,1-7H2.
What are the key properties of 4-chloro-N,N-bis(2-hydroxyethyl)butanamide?
4-chloro-N,N-bis(2-hydroxyethyl)butanamide has a molecular weight of 209.67 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(2-hydroxyethyl)butanamide is sourced from PubChem (CID 63307970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).