N-(2-butoxyethyl)-2-chloropropanamide

C9H18ClNO2 — CID 61177206

IUPACN-(2-butoxyethyl)-2-chloropropanamide
SMILESCCCCOCCNC(=O)C(C)Cl
InChIInChI=1S/C9H18ClNO2/c1-3-4-6-13-7-5-11-9(12)8(2)10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyYJZSLZISDCLJKQ-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.55
Rot. Bonds7

About N-(2-butoxyethyl)-2-chloropropanamide

N-(2-butoxyethyl)-2-chloropropanamide (PubChem CID 61177206) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-chloropropanamide
PubChem CID61177206
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC NameN-(2-butoxyethyl)-2-chloropropanamide
SMILESCCCCOCCNC(=O)C(C)Cl
InChIInChI=1S/C9H18ClNO2/c1-3-4-6-13-7-5-11-9(12)8(2)10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyYJZSLZISDCLJKQ-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-butoxyethyl)-2-chloropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
2-bromo-N-(2-butoxyethyl)propanamide
CID 107904787
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
2-chloro-N-(3-propoxypropylcarbamoyl)propanamide
CID 82943855
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
2-bromo-N-(3-butoxypropyl)-3-methylbutanamide
CID 115649429
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936
N-(2-butoxyethyl)-2-(methylamino)acetamide
CID 61175686
N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-methylpropylamino)acetamide
CID 156547181
2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-chloropropanamide?
The IUPAC name of N-(2-butoxyethyl)-2-chloropropanamide (CID 61177206) is N-(2-butoxyethyl)-2-chloropropanamide.
What is the SMILES notation for N-(2-butoxyethyl)-2-chloropropanamide?
The canonical SMILES for N-(2-butoxyethyl)-2-chloropropanamide is CCCCOCCNC(=O)C(C)Cl.
What is the InChIKey of N-(2-butoxyethyl)-2-chloropropanamide?
The InChIKey is YJZSLZISDCLJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-3-4-6-13-7-5-11-9(12)8(2)10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-butoxyethyl)-2-chloropropanamide?
N-(2-butoxyethyl)-2-chloropropanamide has a molecular weight of 207.70 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-chloropropanamide is sourced from PubChem (CID 61177206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).