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

C28H38N2O4 — CID 142193396

IUPACN-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
SMILESCCCCC1CCC(c2cccc(NC(=O)Cc3ccc(OCCNC=O)c(OC)c3)c2)CC1
InChIInChI=1S/C28H38N2O4/c1-3-4-6-21-9-12-23(13-10-21)24-7-5-8-25(19-24)30-28(32)18-22-11-14-26(27(17-22)33-2)34-16-15-29-20-31/h5,7-8,11,14,17,19-21,23H,3-4,6,9-10,12-13,15-16,18H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyZPNWUGPWZLVOIR-UHFFFAOYSA-N
MW466.62 g/mol
LogP5.47
Rot. Bonds13

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

N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide (PubChem CID 142193396) has the molecular formula C28H38N2O4 and a molecular weight of 466.62 g/mol. Its IUPAC name is N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
PubChem CID142193396
Molecular FormulaC28H38N2O4
Molecular Weight466.62 g/mol
Exact Mass466.28
IUPAC NameN-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
SMILESCCCCC1CCC(c2cccc(NC(=O)Cc3ccc(OCCNC=O)c(OC)c3)c2)CC1
InChIInChI=1S/C28H38N2O4/c1-3-4-6-21-9-12-23(13-10-21)24-7-5-8-25(19-24)30-28(32)18-22-11-14-26(27(17-22)33-2)34-16-15-29-20-31/h5,7-8,11,14,17,19-21,23H,3-4,6,9-10,12-13,15-16,18H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyZPNWUGPWZLVOIR-UHFFFAOYSA-N
XLogP5.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 55.47
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-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
CID 22019592
[4-[2-[3-(4-butylcyclohexyl)anilino]-2-oxoethyl]-2-methoxyphenyl] acetate
CID 142193429
2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide
CID 22019572
[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate
CID 162747260
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239
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-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 172895401
2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213470
N-[3-(2-cyclohexylethyl)phenyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22019671
N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide
CID 70368312
2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide
CID 12004061

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide (CID 142193396) is N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide is CCCCC1CCC(c2cccc(NC(=O)Cc3ccc(OCCNC=O)c(OC)c3)c2)CC1.
What is the InChIKey of N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide?
The InChIKey is ZPNWUGPWZLVOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O4/c1-3-4-6-21-9-12-23(13-10-21)24-7-5-8-25(19-24)30-28(32)18-22-11-14-26(27(17-22)33-2)34-16-15-29-20-31/h5,7-8,11,14,17,19-21,23H,3-4,6,9-10,12-13,15-16,18H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide?
N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide has a molecular weight of 466.62 g/mol, XLogP of 5.47, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide is sourced from PubChem (CID 142193396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).