(1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide

C25H29NO3 — CID 58648558

IUPAC(1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
SMILESO=C(C(=O)C1CCCC[C@H]1C(=O)NCCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO3/c27-23(20-14-5-2-6-15-20)24(28)21-16-7-8-17-22(21)25(29)26-18-10-9-13-19-11-3-1-4-12-19/h1-6,11-12,14-15,21-22H,7-10,13,16-18H2,(H,26,29)/t21?,22-/m1/s1
InChIKeyGNZLQIOYVARLOZ-FOIFJWKZSA-N
MW391.51 g/mol
LogP4.38
Rot. Bonds9

About (1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide

(1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide (PubChem CID 58648558) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is (1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
PubChem CID58648558
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name(1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
SMILESO=C(C(=O)C1CCCC[C@H]1C(=O)NCCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO3/c27-23(20-14-5-2-6-15-20)24(28)21-16-7-8-17-22(21)25(29)26-18-10-9-13-19-11-3-1-4-12-19/h1-6,11-12,14-15,21-22H,7-10,13,16-18H2,(H,26,29)/t21?,22-/m1/s1
InChIKeyGNZLQIOYVARLOZ-FOIFJWKZSA-N
XLogP4.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638
trans-(1S,2S)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 2165135
2-amino-N-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 64823369
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
(1R,6S)-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 2167062
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
8-phenyloctylcarbamic acid
CID 90271205
benzyl (2S)-2-(4-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 59893762
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of (1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide (CID 58648558) is (1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for (1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide is O=C(C(=O)C1CCCC[C@H]1C(=O)NCCCCc1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide?
The InChIKey is GNZLQIOYVARLOZ-FOIFJWKZSA-N. The full InChI is InChI=1S/C25H29NO3/c27-23(20-14-5-2-6-15-20)24(28)21-16-7-8-17-22(21)25(29)26-18-10-9-13-19-11-3-1-4-12-19/h1-6,11-12,14-15,21-22H,7-10,13,16-18H2,(H,26,29)/t21?,22-/m1/s1.
What are the key properties of (1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide?
(1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-oxo-2-phenylacetyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 58648558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).