N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

C30H44N2O3 — CID 19960574

IUPACN-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(C)(C)c1cc(CCc2ccccc2NC(=O)N2CCCCC2CCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H44N2O3/c1-29(2,3)24-19-21(20-25(27(24)34)30(4,5)6)14-15-22-11-7-8-13-26(22)31-28(35)32-17-10-9-12-23(32)16-18-33/h7-8,11,13,19-20,23,33-34H,9-10,12,14-18H2,1-6H3,(H,31,35)
InChIKeyPQHBWMLHKUYYMG-UHFFFAOYSA-N
MW480.69 g/mol
LogP6.54
Rot. Bonds6

About N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 19960574) has the molecular formula C30H44N2O3 and a molecular weight of 480.69 g/mol. Its IUPAC name is N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID19960574
Molecular FormulaC30H44N2O3
Molecular Weight480.69 g/mol
Exact Mass480.34
IUPAC NameN-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(C)(C)c1cc(CCc2ccccc2NC(=O)N2CCCCC2CCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H44N2O3/c1-29(2,3)24-19-21(20-25(27(24)34)30(4,5)6)14-15-22-11-7-8-13-26(22)31-28(35)32-17-10-9-12-23(32)16-18-33/h7-8,11,13,19-20,23,33-34H,9-10,12,14-18H2,1-6H3,(H,31,35)
InChIKeyPQHBWMLHKUYYMG-UHFFFAOYSA-N
XLogP6.54
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.69
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dicyclohexyl-3-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]urea
CID 19960650
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide
CID 111116843
1-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-3-[2-methyl-2-(4-pyrrolidin-1-ylphenyl)propyl]urea
CID 19960533
2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61190378
(3-tert-butyl-4-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 59382234
N-(2-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethyl]piperidine-1-carboxamide
CID 56882244
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-hydroxyphenyl)propan-1-one
CID 60742305
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 97027964
N-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108520894
(2R)-2-(2-hydroxyethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-1-carboxamide
CID 97434352
1-(anthracen-9-ylmethyl)-3-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-1-methylurea
CID 19960522

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 19960574) is N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is CC(C)(C)c1cc(CCc2ccccc2NC(=O)N2CCCCC2CCO)cc(C(C)(C)C)c1O.
What is the InChIKey of N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is PQHBWMLHKUYYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O3/c1-29(2,3)24-19-21(20-25(27(24)34)30(4,5)6)14-15-22-11-7-8-13-26(22)31-28(35)32-17-10-9-12-23(32)16-18-33/h7-8,11,13,19-20,23,33-34H,9-10,12,14-18H2,1-6H3,(H,31,35).
What are the key properties of N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 480.69 g/mol, XLogP of 6.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 19960574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).