N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide

C22H26N2O2 — CID 17222847

IUPACN-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C22H26N2O2/c25-21(15-14-17-8-3-1-4-9-17)23-19-12-7-13-20(16-19)24-22(26)18-10-5-2-6-11-18/h1,3-4,7-9,12-13,16,18H,2,5-6,10-11,14-15H2,(H,23,25)(H,24,26)
InChIKeyHOYWHIPOXLSBJN-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.78
Rot. Bonds6

About N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide

N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide (PubChem CID 17222847) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
PubChem CID17222847
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C22H26N2O2/c25-21(15-14-17-8-3-1-4-9-17)23-19-12-7-13-20(16-19)24-22(26)18-10-5-2-6-11-18/h1,3-4,7-9,12-13,16,18H,2,5-6,10-11,14-15H2,(H,23,25)(H,24,26)
InChIKeyHOYWHIPOXLSBJN-UHFFFAOYSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 146258006
3-[3-[[2-(cyclohexanecarbonylamino)acetyl]amino]phenyl]propanoic acid
CID 120613844
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17223129
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
2-[[4-(3-phenylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17233524

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide (CID 17222847) is N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide is O=C(CCc1ccccc1)Nc1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is HOYWHIPOXLSBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21(15-14-17-8-3-1-4-9-17)23-19-12-7-13-20(16-19)24-22(26)18-10-5-2-6-11-18/h1,3-4,7-9,12-13,16,18H,2,5-6,10-11,14-15H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide?
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 17222847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).