3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide

C24H28N2O3 — CID 60573373

IUPAC3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
SMILESCCOc1ccc(C2(CNC(=O)CCc3ccc(C#N)cc3)CCOCC2)cc1
InChIInChI=1S/C24H28N2O3/c1-2-29-22-10-8-21(9-11-22)24(13-15-28-16-14-24)18-26-23(27)12-7-19-3-5-20(17-25)6-4-19/h3-6,8-11H,2,7,12-16,18H2,1H3,(H,26,27)
InChIKeyMUZWDAASPGHPSK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.75
Rot. Bonds8

About 3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide

3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide (PubChem CID 60573373) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
PubChem CID60573373
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
SMILESCCOc1ccc(C2(CNC(=O)CCc3ccc(C#N)cc3)CCOCC2)cc1
InChIInChI=1S/C24H28N2O3/c1-2-29-22-10-8-21(9-11-22)24(13-15-28-16-14-24)18-26-23(27)12-7-19-3-5-20(17-25)6-4-19/h3-6,8-11H,2,7,12-16,18H2,1H3,(H,26,27)
InChIKeyMUZWDAASPGHPSK-UHFFFAOYSA-N
XLogP3.75
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573347
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
2-(cyclopropylmethylamino)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119749575
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide
CID 51092225
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119950588
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100602099
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749600
5-[[4-(4-ethoxyphenyl)oxan-4-yl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685263
2-(4-cyanophenoxy)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 17437937
N-[(4-phenyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide (CID 60573373) is 3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide is CCOc1ccc(C2(CNC(=O)CCc3ccc(C#N)cc3)CCOCC2)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide?
The InChIKey is MUZWDAASPGHPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-2-29-22-10-8-21(9-11-22)24(13-15-28-16-14-24)18-26-23(27)12-7-19-3-5-20(17-25)6-4-19/h3-6,8-11H,2,7,12-16,18H2,1H3,(H,26,27).
What are the key properties of 3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide?
3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 60573373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).