N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide

C30H35FN2O3 — CID 163795286

IUPACN-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide
SMILESC=C/C(=C\C(F)=C/C)N(C(=O)Cc1ccc(O)cc1)C(C(=O)NC1CCCCC1)c1ccccc1C
InChIInChI=1S/C30H35FN2O3/c1-4-23(31)20-25(5-2)33(28(35)19-22-15-17-26(34)18-16-22)29(27-14-10-9-11-21(27)3)30(36)32-24-12-7-6-8-13-24/h4-5,9-11,14-18,20,24,29,34H,2,6-8,12-13,19H2,1,3H3,(H,32,36)/b23-4+,25-20+
InChIKeyNAFUXHIRIZMPSM-SIJFGLEWSA-N
MW490.62 g/mol
LogP6.21
Rot. Bonds9

About N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide

N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide (PubChem CID 163795286) has the molecular formula C30H35FN2O3 and a molecular weight of 490.62 g/mol. Its IUPAC name is N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide
PubChem CID163795286
Molecular FormulaC30H35FN2O3
Molecular Weight490.62 g/mol
Exact Mass490.26
IUPAC NameN-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide
SMILESC=C/C(=C\C(F)=C/C)N(C(=O)Cc1ccc(O)cc1)C(C(=O)NC1CCCCC1)c1ccccc1C
InChIInChI=1S/C30H35FN2O3/c1-4-23(31)20-25(5-2)33(28(35)19-22-15-17-26(34)18-16-22)29(27-14-10-9-11-21(27)3)30(36)32-24-12-7-6-8-13-24/h4-5,9-11,14-18,20,24,29,34H,2,6-8,12-13,19H2,1,3H3,(H,32,36)/b23-4+,25-20+
InChIKeyNAFUXHIRIZMPSM-SIJFGLEWSA-N
XLogP6.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.62
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloroacetyl)-penta-1,3-dien-3-ylamino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 123415010
N-cyclohexyl-2-[[2-(4-fluoroanilino)acetyl]-(2-methylhepta-1,3,5-trien-4-yl)amino]-2-(2-methylphenyl)acetamide
CID 123315156
N-cyclohexyl-2-[2-methylhepta-1,3,5-trien-4-yl-[2-(2-methylimidazol-1-yl)acetyl]amino]-2-(2-methylphenyl)acetamide
CID 123401759
2-[(2-chloroacetyl)-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 4086572
tert-butyl N-[1-[[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-(2-methylcyclopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
CID 18069268
[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid
CID 161315225
2-[benzylsulfonyl(2-methylhepta-1,3,5-trien-4-yl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 123764668
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 86809840
N-cyclohexyl-2-[[2-(4-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132763914
N-benzyl-N'-cyclohexyl-N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-2,2-dimethylpropanediamide
CID 154926643
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 123813492

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide (CID 163795286) is N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide is C=C/C(=C\C(F)=C/C)N(C(=O)Cc1ccc(O)cc1)C(C(=O)NC1CCCCC1)c1ccccc1C.
What is the InChIKey of N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide?
The InChIKey is NAFUXHIRIZMPSM-SIJFGLEWSA-N. The full InChI is InChI=1S/C30H35FN2O3/c1-4-23(31)20-25(5-2)33(28(35)19-22-15-17-26(34)18-16-22)29(27-14-10-9-11-21(27)3)30(36)32-24-12-7-6-8-13-24/h4-5,9-11,14-18,20,24,29,34H,2,6-8,12-13,19H2,1,3H3,(H,32,36)/b23-4+,25-20+.
What are the key properties of N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide?
N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide has a molecular weight of 490.62 g/mol, XLogP of 6.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 163795286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).