N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide

C26H33FN2O3 — CID 132611757

IUPACN-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C26H33FN2O3/c1-3-24(26(31)28-22-10-5-4-6-11-22)29(17-20-9-7-8-19(2)16-20)25(30)18-32-23-14-12-21(27)13-15-23/h7-9,12-16,22,24H,3-6,10-11,17-18H2,1-2H3,(H,28,31)
InChIKeyRVJGSOCCBBMQJD-UHFFFAOYSA-N
MW440.56 g/mol
LogP4.77
Rot. Bonds9

About N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide

N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide (PubChem CID 132611757) has the molecular formula C26H33FN2O3 and a molecular weight of 440.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
PubChem CID132611757
Molecular FormulaC26H33FN2O3
Molecular Weight440.56 g/mol
Exact Mass440.25
IUPAC NameN-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C26H33FN2O3/c1-3-24(26(31)28-22-10-5-4-6-11-22)29(17-20-9-7-8-19(2)16-20)25(30)18-32-23-14-12-21(27)13-15-23/h7-9,12-16,22,24H,3-6,10-11,17-18H2,1-2H3,(H,28,31)
InChIKeyRVJGSOCCBBMQJD-UHFFFAOYSA-N
XLogP4.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132612049
2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 132610374
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132610392
2-[[2-(4-bromo-3,5-dimethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132621443
(2S)-N-cyclohexyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100535664
(2R)-N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100600902
N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132615744
(2R)-N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100585638
N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132947792
N-cyclopentyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132613364
2-[[2-(3-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614186
N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132612918

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
The IUPAC name of N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide (CID 132611757) is N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide is CCC(C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
The InChIKey is RVJGSOCCBBMQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O3/c1-3-24(26(31)28-22-10-5-4-6-11-22)29(17-20-9-7-8-19(2)16-20)25(30)18-32-23-14-12-21(27)13-15-23/h7-9,12-16,22,24H,3-6,10-11,17-18H2,1-2H3,(H,28,31).
What are the key properties of N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide has a molecular weight of 440.56 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 132611757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).