N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C23H31NO2 — CID 54781971

IUPACN-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)COc1cccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C23H31NO2/c1-16(2)13-19-9-11-20(12-10-19)18(5)23(25)24-21-7-6-8-22(14-21)26-15-17(3)4/h6-12,14,16-18H,13,15H2,1-5H3,(H,24,25)
InChIKeyZBYOPLJUUZLNEU-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.66
Rot. Bonds8

About N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 54781971) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID54781971
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)COc1cccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C23H31NO2/c1-16(2)13-19-9-11-20(12-10-19)18(5)23(25)24-21-7-6-8-22(14-21)26-15-17(3)4/h6-12,14,16-18H,13,15H2,1-5H3,(H,24,25)
InChIKeyZBYOPLJUUZLNEU-UHFFFAOYSA-N
XLogP5.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116
2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
CID 54782349
(2R)-N-(3,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 102377979
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782363
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120667184
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 54781971) is N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)COc1cccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is ZBYOPLJUUZLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-16(2)13-19-9-11-20(12-10-19)18(5)23(25)24-21-7-6-8-22(14-21)26-15-17(3)4/h6-12,14,16-18H,13,15H2,1-5H3,(H,24,25).
What are the key properties of N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 353.51 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 54781971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).