2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide

C19H27NO3 — CID 136534363

IUPAC2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide
SMILESO=C(C(O)C1CCCCC1)N(Cc1ccc(O)cc1)CC1CC1
InChIInChI=1S/C19H27NO3/c21-17-10-8-15(9-11-17)13-20(12-14-6-7-14)19(23)18(22)16-4-2-1-3-5-16/h8-11,14,16,18,21-22H,1-7,12-13H2
InChIKeyZHNMMAAUUINUHF-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.07
Rot. Bonds6

About 2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide

2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide (PubChem CID 136534363) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide
PubChem CID136534363
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide
SMILESO=C(C(O)C1CCCCC1)N(Cc1ccc(O)cc1)CC1CC1
InChIInChI=1S/C19H27NO3/c21-17-10-8-15(9-11-17)13-20(12-14-6-7-14)19(23)18(22)16-4-2-1-3-5-16/h8-11,14,16,18,21-22H,1-7,12-13H2
InChIKeyZHNMMAAUUINUHF-UHFFFAOYSA-N
XLogP3.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide (CID 136534363) is 2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide is O=C(C(O)C1CCCCC1)N(Cc1ccc(O)cc1)CC1CC1.
What is the InChIKey of 2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide?
The InChIKey is ZHNMMAAUUINUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c21-17-10-8-15(9-11-17)13-20(12-14-6-7-14)19(23)18(22)16-4-2-1-3-5-16/h8-11,14,16,18,21-22H,1-7,12-13H2.
What are the key properties of 2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide?
2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 136534363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).