N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide

C24H33NO3 — CID 54156421

IUPACN-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide
SMILESCCCCCC(C)C(C)c1cc(O)c(C(NC(C)=O)c2ccccc2)c(O)c1
InChIInChI=1S/C24H33NO3/c1-5-6-8-11-16(2)17(3)20-14-21(27)23(22(28)15-20)24(25-18(4)26)19-12-9-7-10-13-19/h7,9-10,12-17,24,27-28H,5-6,8,11H2,1-4H3,(H,25,26)
InChIKeyOLJITSOACKIBPS-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.64
Rot. Bonds9

About N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide

N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide (PubChem CID 54156421) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide
PubChem CID54156421
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide
SMILESCCCCCC(C)C(C)c1cc(O)c(C(NC(C)=O)c2ccccc2)c(O)c1
InChIInChI=1S/C24H33NO3/c1-5-6-8-11-16(2)17(3)20-14-21(27)23(22(28)15-20)24(25-18(4)26)19-12-9-7-10-13-19/h7,9-10,12-17,24,27-28H,5-6,8,11H2,1-4H3,(H,25,26)
InChIKeyOLJITSOACKIBPS-UHFFFAOYSA-N
XLogP5.64
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[acetamido-(5-benzyl-2-hydroxyphenyl)methyl]phenyl]-(5-benzyl-2-hydroxyphenyl)methyl]acetamide
CID 102367054
1-phenylhexylcarbamic acid
CID 21477897
2-pentyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4295925
1-phenyloctylcarbamic acid
CID 90271204
1-phenylnonylcarbamic acid
CID 67252081
2-chloro-N-heptan-2-yl-2-phenylacetamide
CID 43578893
5-(3-methyloctan-2-yl)-2-piperidin-1-ylbenzene-1,3-diol
CID 57199457
4-hydroxy-3-(1-phenylhexyl)benzoic acid
CID 123966093
3-benzhydryl-1,1-dibutylurea
CID 108867480
(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
CID 104897331
iodo 3-methyl-2-phenyloctanoate
CID 143248949
5-methylundecan-6-ylbenzene
CID 173025924

Frequently Asked Questions

What is the IUPAC name of N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide?
The IUPAC name of N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide (CID 54156421) is N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide.
What is the SMILES notation for N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide?
The canonical SMILES for N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide is CCCCCC(C)C(C)c1cc(O)c(C(NC(C)=O)c2ccccc2)c(O)c1.
What is the InChIKey of N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide?
The InChIKey is OLJITSOACKIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-5-6-8-11-16(2)17(3)20-14-21(27)23(22(28)15-20)24(25-18(4)26)19-12-9-7-10-13-19/h7,9-10,12-17,24,27-28H,5-6,8,11H2,1-4H3,(H,25,26).
What are the key properties of N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide?
N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide has a molecular weight of 383.53 g/mol, XLogP of 5.64, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-dihydroxy-4-(3-methyloctan-2-yl)phenyl]-phenylmethyl]acetamide is sourced from PubChem (CID 54156421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).