N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide

C25H34N2O3 — CID 56581468

IUPACN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
SMILESCCOc1ccc(C2(CNC(=O)C(c3ccccc3)N(C)CC)CCOCC2)cc1
InChIInChI=1S/C25H34N2O3/c1-4-27(3)23(20-9-7-6-8-10-20)24(28)26-19-25(15-17-29-18-16-25)21-11-13-22(14-12-21)30-5-2/h6-14,23H,4-5,15-19H2,1-3H3,(H,26,28)
InChIKeyVMRIGHSRVRXTPY-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.94
Rot. Bonds9

About N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide (PubChem CID 56581468) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
PubChem CID56581468
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
SMILESCCOc1ccc(C2(CNC(=O)C(c3ccccc3)N(C)CC)CCOCC2)cc1
InChIInChI=1S/C25H34N2O3/c1-4-27(3)23(20-9-7-6-8-10-20)24(28)26-19-25(15-17-29-18-16-25)21-11-13-22(14-12-21)30-5-2/h6-14,23H,4-5,15-19H2,1-3H3,(H,26,28)
InChIKeyVMRIGHSRVRXTPY-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119950588
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
2-(diethylamino)-2-phenyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56538633
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60578416
5-[[4-(4-ethoxyphenyl)oxan-4-yl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685263
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
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
1-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216268
1-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111126521
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
CID 60575805

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The IUPAC name of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide (CID 56581468) is N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide is CCOc1ccc(C2(CNC(=O)C(c3ccccc3)N(C)CC)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
The InChIKey is VMRIGHSRVRXTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-4-27(3)23(20-9-7-6-8-10-20)24(28)26-19-25(15-17-29-18-16-25)21-11-13-22(14-12-21)30-5-2/h6-14,23H,4-5,15-19H2,1-3H3,(H,26,28).
What are the key properties of N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide?
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide has a molecular weight of 410.56 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide is sourced from PubChem (CID 56581468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).