N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide

C28H38N2O4 — CID 22019592

IUPACN-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
SMILESCOc1cc(CC(=O)Nc2cccc(C3CCC(C(C)(C)C)CC3)c2)ccc1OCCNC=O
InChIInChI=1S/C28H38N2O4/c1-28(2,3)23-11-9-21(10-12-23)22-6-5-7-24(18-22)30-27(32)17-20-8-13-25(26(16-20)33-4)34-15-14-29-19-31/h5-8,13,16,18-19,21,23H,9-12,14-15,17H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyBIPHJLLFSQKXSL-UHFFFAOYSA-N
MW466.62 g/mol
LogP5.32
Rot. Bonds10

About N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide

N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide (PubChem CID 22019592) has the molecular formula C28H38N2O4 and a molecular weight of 466.62 g/mol. Its IUPAC name is N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
PubChem CID22019592
Molecular FormulaC28H38N2O4
Molecular Weight466.62 g/mol
Exact Mass466.28
IUPAC NameN-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
SMILESCOc1cc(CC(=O)Nc2cccc(C3CCC(C(C)(C)C)CC3)c2)ccc1OCCNC=O
InChIInChI=1S/C28H38N2O4/c1-28(2,3)23-11-9-21(10-12-23)22-6-5-7-24(18-22)30-27(32)17-20-8-13-25(26(16-20)33-4)34-15-14-29-19-31/h5-8,13,16,18-19,21,23H,9-12,14-15,17H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyBIPHJLLFSQKXSL-UHFFFAOYSA-N
XLogP5.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
CID 142193396
2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide
CID 22019572
[4-[2-[3-(4-butylcyclohexyl)anilino]-2-oxoethyl]-2-methoxyphenyl] acetate
CID 142193429
[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate
CID 162747260
tert-butyl N-[2-[4-[2-(3-iodoanilino)-2-oxoethyl]-2-methoxyphenoxy]ethyl]carbamate
CID 22019609
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide
CID 172895402
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 172895401
2-(3-cyclopropylphenyl)-N-(4-methoxyphenyl)acetamide
CID 166236800
N-[3-(tert-butylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 9108242
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
N-[3-(2-cyclohexylethyl)phenyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22019671

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide (CID 22019592) is N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide is COc1cc(CC(=O)Nc2cccc(C3CCC(C(C)(C)C)CC3)c2)ccc1OCCNC=O.
What is the InChIKey of N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide?
The InChIKey is BIPHJLLFSQKXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O4/c1-28(2,3)23-11-9-21(10-12-23)22-6-5-7-24(18-22)30-27(32)17-20-8-13-25(26(16-20)33-4)34-15-14-29-19-31/h5-8,13,16,18-19,21,23H,9-12,14-15,17H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide?
N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide has a molecular weight of 466.62 g/mol, XLogP of 5.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide is sourced from PubChem (CID 22019592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).