N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C23H29NO2 — CID 54782020

IUPACN-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESC=C(C)COc1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-16(2)14-19-6-8-20(9-7-19)18(5)23(25)24-21-10-12-22(13-11-21)26-15-17(3)4/h6-13,16,18H,3,14-15H2,1-2,4-5H3,(H,24,25)
InChIKeyPNBIDZJPIIKXKV-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.58
Rot. Bonds8

About N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 54782020) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID54782020
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESC=C(C)COc1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C23H29NO2/c1-16(2)14-19-6-8-20(9-7-19)18(5)23(25)24-21-10-12-22(13-11-21)26-15-17(3)4/h6-13,16,18H,3,14-15H2,1-2,4-5H3,(H,24,25)
InChIKeyPNBIDZJPIIKXKV-UHFFFAOYSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782363
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
(2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 155201142
(2R)-N-(3,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 102377979
N'-[2-(4-bromophenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782165
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54781971

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 54782020) is N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is C=C(C)COc1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is PNBIDZJPIIKXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-16(2)14-19-6-8-20(9-7-19)18(5)23(25)24-21-10-12-22(13-11-21)26-15-17(3)4/h6-13,16,18H,3,14-15H2,1-2,4-5H3,(H,24,25).
What are the key properties of N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 351.49 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 54782020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).