2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

C15H22ClNO3 — CID 43244618

IUPAC2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCNC(=O)C(C)Cl)cc1OCC
InChIInChI=1S/C15H22ClNO3/c1-4-19-13-7-6-12(10-14(13)20-5-2)8-9-17-15(18)11(3)16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyQZGYFNBCTKDMHH-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.77
Rot. Bonds8

About 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide (PubChem CID 43244618) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
PubChem CID43244618
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCNC(=O)C(C)Cl)cc1OCC
InChIInChI=1S/C15H22ClNO3/c1-4-19-13-7-6-12(10-14(13)20-5-2)8-9-17-15(18)11(3)16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyQZGYFNBCTKDMHH-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 78778592
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983522
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 134060511
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide (CID 43244618) is 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide is CCOc1ccc(CCNC(=O)C(C)Cl)cc1OCC.
What is the InChIKey of 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
The InChIKey is QZGYFNBCTKDMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-4-19-13-7-6-12(10-14(13)20-5-2)8-9-17-15(18)11(3)16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 43244618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).