2-(4-phenylmethoxyphenyl)pentanediamide

C18H20N2O3 — CID 20546418

IUPAC2-(4-phenylmethoxyphenyl)pentanediamide
SMILESNC(=O)CCC(C(N)=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c19-17(21)11-10-16(18(20)22)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H2,19,21)(H2,20,22)
InChIKeyZFKYBQBXEWARFV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.10
Rot. Bonds8

About 2-(4-phenylmethoxyphenyl)pentanediamide

2-(4-phenylmethoxyphenyl)pentanediamide (PubChem CID 20546418) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)pentanediamide.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)pentanediamide
PubChem CID20546418
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(4-phenylmethoxyphenyl)pentanediamide
SMILESNC(=O)CCC(C(N)=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c19-17(21)11-10-16(18(20)22)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H2,19,21)(H2,20,22)
InChIKeyZFKYBQBXEWARFV-UHFFFAOYSA-N
XLogP2.10
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
methyl (2R)-4-oxo-2-(4-phenylmethoxyphenyl)butanoate
CID 86314561
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
2,2,2-trichloro-1-(4-phenylmethoxyphenyl)ethanamine
CID 56614966
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
3-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 167598838
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylmethoxyphenyl)propanoic acid
CID 175994952
N-[(2S)-5-amino-5-oxo-1-(4-phenylmethoxyphenyl)pentan-2-yl]-7-phenylheptanamide
CID 91026852
4-phenylmethoxybenzoic acid
CID 68896574

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)pentanediamide?
The IUPAC name of 2-(4-phenylmethoxyphenyl)pentanediamide (CID 20546418) is 2-(4-phenylmethoxyphenyl)pentanediamide.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)pentanediamide?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)pentanediamide is NC(=O)CCC(C(N)=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)pentanediamide?
The InChIKey is ZFKYBQBXEWARFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c19-17(21)11-10-16(18(20)22)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H2,19,21)(H2,20,22).
What are the key properties of 2-(4-phenylmethoxyphenyl)pentanediamide?
2-(4-phenylmethoxyphenyl)pentanediamide has a molecular weight of 312.37 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)pentanediamide is sourced from PubChem (CID 20546418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).