N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide

C15H21NO3 — CID 42631148

IUPACN-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide
SMILESO=C(CCC1CCC(c2ccc(O)cc2)CC1)NO
InChIInChI=1S/C15H21NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h6-9,11-12,17,19H,1-5,10H2,(H,16,18)
InChIKeyNVOKVAIYUFZATM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.95
Rot. Bonds4

About N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide

N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide (PubChem CID 42631148) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide
PubChem CID42631148
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide
SMILESO=C(CCC1CCC(c2ccc(O)cc2)CC1)NO
InChIInChI=1S/C15H21NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h6-9,11-12,17,19H,1-5,10H2,(H,16,18)
InChIKeyNVOKVAIYUFZATM-UHFFFAOYSA-N
XLogP2.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide?
The IUPAC name of N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide (CID 42631148) is N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide.
What is the SMILES notation for N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide?
The canonical SMILES for N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide is O=C(CCC1CCC(c2ccc(O)cc2)CC1)NO.
What is the InChIKey of N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide?
The InChIKey is NVOKVAIYUFZATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h6-9,11-12,17,19H,1-5,10H2,(H,16,18).
What are the key properties of N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide?
N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide has a molecular weight of 263.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-(4-hydroxyphenyl)cyclohexyl]propanamide is sourced from PubChem (CID 42631148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).