1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide

C20H29NO2 — CID 169232093

IUPAC1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1CCCCc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C20H29NO2/c22-19(20(23)13-7-2-8-14-20)21-18-15-17(18)12-6-5-11-16-9-3-1-4-10-16/h1,3-4,9-10,17-18,23H,2,5-8,11-15H2,(H,21,22)/t17-,18-/m1/s1
InChIKeyGGZIZOMYSTUIRN-QZTJIDSGSA-N
MW315.46 g/mol
LogP3.60
Rot. Bonds7

About 1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide

1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide (PubChem CID 169232093) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide
PubChem CID169232093
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1CCCCc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C20H29NO2/c22-19(20(23)13-7-2-8-14-20)21-18-15-17(18)12-6-5-11-16-9-3-1-4-10-16/h1,3-4,9-10,17-18,23H,2,5-8,11-15H2,(H,21,22)/t17-,18-/m1/s1
InChIKeyGGZIZOMYSTUIRN-QZTJIDSGSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-phenylbutyl)cyclopentane-1-carboxylate
CID 70055348
N-[2-(3-phenylpropyl)cyclopropyl]formamide
CID 178170175
2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
CID 142188842
1-(3-phenylpropylamino)cyclohexan-1-ol
CID 141002398
1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
CID 58842299
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
3-(4-phenylbutyl)oxan-4-ol
CID 106471164
N-[1-(3-phenylpropyl)cyclohexyl]acetamide
CID 143104770
4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide
CID 120935074
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide (CID 169232093) is 1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide is O=C(N[C@@H]1C[C@H]1CCCCc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide?
The InChIKey is GGZIZOMYSTUIRN-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H29NO2/c22-19(20(23)13-7-2-8-14-20)21-18-15-17(18)12-6-5-11-16-9-3-1-4-10-16/h1,3-4,9-10,17-18,23H,2,5-8,11-15H2,(H,21,22)/t17-,18-/m1/s1.
What are the key properties of 1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide?
1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(1R,2R)-2-(4-phenylbutyl)cyclopropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 169232093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).