2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide

C19H24N2O4 — CID 17474380

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide
SMILESCOc1cc(C(C)=O)ccc1OC(C)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C19H24N2O4/c1-13(22)15-7-8-16(17(11-15)24-3)25-14(2)18(23)21-19(12-20)9-5-4-6-10-19/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,21,23)
InChIKeyBUWHSQQEXWQPML-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.01
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide

2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide (PubChem CID 17474380) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide
PubChem CID17474380
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide
SMILESCOc1cc(C(C)=O)ccc1OC(C)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C19H24N2O4/c1-13(22)15-7-8-16(17(11-15)24-3)25-14(2)18(23)21-19(12-20)9-5-4-6-10-19/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,21,23)
InChIKeyBUWHSQQEXWQPML-UHFFFAOYSA-N
XLogP3.01
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 8702776
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501246
2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide
CID 87017606
N-(1-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 8708865
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 8708866
N-(1-cyanocycloheptyl)-4-fluoro-3-methoxybenzamide
CID 81041266
N-(1-cyanocyclohexyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 18078815
[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193429
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7789501
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 8730672
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7814882

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide (CID 17474380) is 2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide is COc1cc(C(C)=O)ccc1OC(C)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide?
The InChIKey is BUWHSQQEXWQPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(22)15-7-8-16(17(11-15)24-3)25-14(2)18(23)21-19(12-20)9-5-4-6-10-19/h7-8,11,14H,4-6,9-10H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide has a molecular weight of 344.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclohexyl)propanamide is sourced from PubChem (CID 17474380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).