N-[4-(3-phenylpropoxy)phenyl]benzamide

C22H21NO2 — CID 17130114

IUPACN-[4-(3-phenylpropoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c24-22(19-11-5-2-6-12-19)23-20-13-15-21(16-14-20)25-17-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-16H,7,10,17H2,(H,23,24)
InChIKeyUYJJQFUAJHJBFJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.95
Rot. Bonds7

About N-[4-(3-phenylpropoxy)phenyl]benzamide

N-[4-(3-phenylpropoxy)phenyl]benzamide (PubChem CID 17130114) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[4-(3-phenylpropoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-phenylpropoxy)phenyl]benzamide
PubChem CID17130114
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[4-(3-phenylpropoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c24-22(19-11-5-2-6-12-19)23-20-13-15-21(16-14-20)25-17-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-16H,7,10,17H2,(H,23,24)
InChIKeyUYJJQFUAJHJBFJ-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
3-(2-methylprop-2-enoxy)-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17133137
3-phenylpropyl 4-(4-benzamidoanilino)-4-oxobutanoate
CID 17235392
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
3-bromo-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 54790774
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17130341
2-(4-benzamidophenoxy)acetic acid
CID 3830392
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylpropoxy)phenyl]benzamide?
The IUPAC name of N-[4-(3-phenylpropoxy)phenyl]benzamide (CID 17130114) is N-[4-(3-phenylpropoxy)phenyl]benzamide.
What is the SMILES notation for N-[4-(3-phenylpropoxy)phenyl]benzamide?
The canonical SMILES for N-[4-(3-phenylpropoxy)phenyl]benzamide is O=C(Nc1ccc(OCCCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(3-phenylpropoxy)phenyl]benzamide?
The InChIKey is UYJJQFUAJHJBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(19-11-5-2-6-12-19)23-20-13-15-21(16-14-20)25-17-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-16H,7,10,17H2,(H,23,24).
What are the key properties of N-[4-(3-phenylpropoxy)phenyl]benzamide?
N-[4-(3-phenylpropoxy)phenyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17130114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).