N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide

C20H23ClN2O3 — CID 108941716

IUPACN'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
SMILESCC(C)CNC(=O)CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14(2)12-22-19(24)11-20(25)23-17-7-9-18(10-8-17)26-13-15-3-5-16(21)6-4-15/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFYBJTMILYGBHEY-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.02
Rot. Bonds8

About N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide

N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide (PubChem CID 108941716) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
PubChem CID108941716
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
SMILESCC(C)CNC(=O)CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14(2)12-22-19(24)11-20(25)23-17-7-9-18(10-8-17)26-13-15-3-5-16(21)6-4-15/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFYBJTMILYGBHEY-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108941699
N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
CID 108941522
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
CID 109011723
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
CID 108941138
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
CID 108986374
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(N-methylanilino)acetamide
CID 109007233
2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide
CID 112980356
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide?
The IUPAC name of N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide (CID 108941716) is N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide.
What is the SMILES notation for N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide?
The canonical SMILES for N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide is CC(C)CNC(=O)CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide?
The InChIKey is FYBJTMILYGBHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14(2)12-22-19(24)11-20(25)23-17-7-9-18(10-8-17)26-13-15-3-5-16(21)6-4-15/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide?
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide has a molecular weight of 374.87 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide is sourced from PubChem (CID 108941716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).