N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide

C22H28ClNO3 — CID 43908360

IUPACN-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCCCc2ccccc2Cl)cc1OCC
InChIInChI=1S/C22H28ClNO3/c1-3-26-20-13-11-17(16-21(20)27-4-2)12-14-22(25)24-15-7-9-18-8-5-6-10-19(18)23/h5-6,8,10-11,13,16H,3-4,7,9,12,14-15H2,1-2H3,(H,24,25)
InChIKeyMVBYQCTVHAJEMI-UHFFFAOYSA-N
MW389.92 g/mol
LogP4.82
Rot. Bonds11

About N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide

N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide (PubChem CID 43908360) has the molecular formula C22H28ClNO3 and a molecular weight of 389.92 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
PubChem CID43908360
Molecular FormulaC22H28ClNO3
Molecular Weight389.92 g/mol
Exact Mass389.18
IUPAC NameN-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCCCc2ccccc2Cl)cc1OCC
InChIInChI=1S/C22H28ClNO3/c1-3-26-20-13-11-17(16-21(20)27-4-2)12-14-22(25)24-15-7-9-18-8-5-6-10-19(18)23/h5-6,8,10-11,13,16H,3-4,7,9,12,14-15H2,1-2H3,(H,24,25)
InChIKeyMVBYQCTVHAJEMI-UHFFFAOYSA-N
XLogP4.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.92
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100601540
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 100596903
3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 99958476
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(3,4-diethoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 38006736
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 9474002
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide (CID 43908360) is N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)NCCCc2ccccc2Cl)cc1OCC.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide?
The InChIKey is MVBYQCTVHAJEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO3/c1-3-26-20-13-11-17(16-21(20)27-4-2)12-14-22(25)24-15-7-9-18-8-5-6-10-19(18)23/h5-6,8,10-11,13,16H,3-4,7,9,12,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide?
N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide has a molecular weight of 389.92 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide is sourced from PubChem (CID 43908360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).