N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide

C20H24N2O3 — CID 108941699

IUPACN-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
SMILESCC(C)CNC(=O)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)13-21-19(23)12-20(24)22-17-8-10-18(11-9-17)25-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFPAXIBMHMDPCKE-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.37
Rot. Bonds8

About N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide

N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide (PubChem CID 108941699) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
PubChem CID108941699
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
SMILESCC(C)CNC(=O)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)13-21-19(23)12-20(24)22-17-8-10-18(11-9-17)25-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFPAXIBMHMDPCKE-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.37
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'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
CID 108941716
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
CID 113000427
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide
CID 3886126
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
2-[2-(2-methylpropoxy)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 54824046

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide?
The IUPAC name of N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide (CID 108941699) is N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide?
The canonical SMILES for N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide is CC(C)CNC(=O)CC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide?
The InChIKey is FPAXIBMHMDPCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)13-21-19(23)12-20(24)22-17-8-10-18(11-9-17)25-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide?
N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide has a molecular weight of 340.42 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide is sourced from PubChem (CID 108941699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).