N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide

C28H32N2O4 — CID 132614086

IUPACN-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C28H32N2O4/c1-4-29-28(32)26(18-22-10-6-5-7-11-22)30(19-23-12-8-9-21(2)17-23)27(31)20-34-25-15-13-24(33-3)14-16-25/h5-17,26H,4,18-20H2,1-3H3,(H,29,32)
InChIKeyCTDQTXAOIWNLPU-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.16
Rot. Bonds11

About N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide

N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide (PubChem CID 132614086) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
PubChem CID132614086
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1
InChIInChI=1S/C28H32N2O4/c1-4-29-28(32)26(18-22-10-6-5-7-11-22)30(19-23-12-8-9-21(2)17-23)27(31)20-34-25-15-13-24(33-3)14-16-25/h5-17,26H,4,18-20H2,1-3H3,(H,29,32)
InChIKeyCTDQTXAOIWNLPU-UHFFFAOYSA-N
XLogP4.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616204
N-ethyl-2-[[2-(3-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132612194
(2R)-2-[(3-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100745833
2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132618050
2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132621364
2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132615977
(2S)-N-butyl-2-[[2-(4-iodophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100597415
2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133233159
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132657878
(2R)-2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100579080
N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616203
(2R)-N-butyl-2-[(3-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 100706391

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide?
The IUPAC name of N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide (CID 132614086) is N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide?
The canonical SMILES for N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide?
The InChIKey is CTDQTXAOIWNLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-4-29-28(32)26(18-22-10-6-5-7-11-22)30(19-23-12-8-9-21(2)17-23)27(31)20-34-25-15-13-24(33-3)14-16-25/h5-17,26H,4,18-20H2,1-3H3,(H,29,32).
What are the key properties of N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide?
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide has a molecular weight of 460.57 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 132614086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).