4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide

C14H20ClNO2 — CID 63308069

IUPAC4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
SMILESCCOCc1ccccc1CNC(=O)CCCCl
InChIInChI=1S/C14H20ClNO2/c1-2-18-11-13-7-4-3-6-12(13)10-16-14(17)8-5-9-15/h3-4,6-7H,2,5,8-11H2,1H3,(H,16,17)
InChIKeyDSZYNVILILZHFO-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.86
Rot. Bonds8

About 4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide

4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide (PubChem CID 63308069) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
PubChem CID63308069
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
SMILESCCOCc1ccccc1CNC(=O)CCCCl
InChIInChI=1S/C14H20ClNO2/c1-2-18-11-13-7-4-3-6-12(13)10-16-14(17)8-5-9-15/h3-4,6-7H,2,5,8-11H2,1H3,(H,16,17)
InChIKeyDSZYNVILILZHFO-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichlorophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 55853083
2-[2-[(4-ethoxybutanoylamino)methyl]phenyl]acetic acid
CID 81317970
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
N-[[2-(ethoxymethyl)phenyl]methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 43062586
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 37398807
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55596990
2-(2-benzylphenoxy)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide
CID 55599195
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 37398686
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide (CID 63308069) is 4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide is CCOCc1ccccc1CNC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
The InChIKey is DSZYNVILILZHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-18-11-13-7-4-3-6-12(13)10-16-14(17)8-5-9-15/h3-4,6-7H,2,5,8-11H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide has a molecular weight of 269.77 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 63308069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).