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

C23H28ClNO3 — CID 60573347

IUPAC3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
SMILESCCOc1ccc(C2(CNC(=O)CCc3ccc(Cl)cc3)CCOCC2)cc1
InChIInChI=1S/C23H28ClNO3/c1-2-28-21-10-6-19(7-11-21)23(13-15-27-16-14-23)17-25-22(26)12-5-18-3-8-20(24)9-4-18/h3-4,6-11H,2,5,12-17H2,1H3,(H,25,26)
InChIKeyLVKCDHNDQYXNIG-UHFFFAOYSA-N
MW401.93 g/mol
LogP4.54
Rot. Bonds8

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

3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide (PubChem CID 60573347) has the molecular formula C23H28ClNO3 and a molecular weight of 401.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
PubChem CID60573347
Molecular FormulaC23H28ClNO3
Molecular Weight401.93 g/mol
Exact Mass401.18
IUPAC Name3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
SMILESCCOc1ccc(C2(CNC(=O)CCc3ccc(Cl)cc3)CCOCC2)cc1
InChIInChI=1S/C23H28ClNO3/c1-2-28-21-10-6-19(7-11-21)23(13-15-27-16-14-23)17-25-22(26)12-5-18-3-8-20(24)9-4-18/h3-4,6-11H,2,5,12-17H2,1H3,(H,25,26)
InChIKeyLVKCDHNDQYXNIG-UHFFFAOYSA-N
XLogP4.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.93
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573373
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
(E)-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 98935516
2-(cyclopropylmethylamino)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119749575
2-(4-chloro-2-fluorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008861
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
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-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100602099
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
5-[[4-(4-ethoxyphenyl)oxan-4-yl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685263

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide (CID 60573347) is 3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide is CCOc1ccc(C2(CNC(=O)CCc3ccc(Cl)cc3)CCOCC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide?
The InChIKey is LVKCDHNDQYXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO3/c1-2-28-21-10-6-19(7-11-21)23(13-15-27-16-14-23)17-25-22(26)12-5-18-3-8-20(24)9-4-18/h3-4,6-11H,2,5,12-17H2,1H3,(H,25,26).
What are the key properties of 3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide?
3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide has a molecular weight of 401.93 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 60573347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).