2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide

C24H29N3O3 — CID 52777591

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1
InChIInChI=1S/C24H29N3O3/c1-27(20-6-4-3-5-7-20)21-11-8-18(9-12-21)16-26-24(28)17-30-22-13-10-19(15-25)14-23(22)29-2/h8-14,20H,3-7,16-17H2,1-2H3,(H,26,28)
InChIKeyWYUZJLSORLYCMT-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.03
Rot. Bonds8

About 2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide (PubChem CID 52777591) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide
PubChem CID52777591
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1
InChIInChI=1S/C24H29N3O3/c1-27(20-6-4-3-5-7-20)21-11-8-18(9-12-21)16-26-24(28)17-30-22-13-10-19(15-25)14-23(22)29-2/h8-14,20H,3-7,16-17H2,1-2H3,(H,26,28)
InChIKeyWYUZJLSORLYCMT-UHFFFAOYSA-N
XLogP4.03
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914832
(2R)-2-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 95164217
2-(4-cyano-2-methoxyphenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]acetamide
CID 55783641
4-[[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45304579
2-(4-cyano-2-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2492539
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
2-(4-cyano-2-ethoxyphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32627711
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7757349
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide (CID 52777591) is 2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide is COc1cc(C#N)ccc1OCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide?
The InChIKey is WYUZJLSORLYCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-27(20-6-4-3-5-7-20)21-11-8-18(9-12-21)16-26-24(28)17-30-22-13-10-19(15-25)14-23(22)29-2/h8-14,20H,3-7,16-17H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]acetamide is sourced from PubChem (CID 52777591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).