methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate

C23H29NO6 — CID 46483385

IUPACmethyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
SMILESCCOc1cc(C(=O)NC(CC(=O)OC)c2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C23H29NO6/c1-5-28-19-13-17(14-20(29-6-2)22(19)30-7-3)23(26)24-18(15-21(25)27-4)16-11-9-8-10-12-16/h8-14,18H,5-7,15H2,1-4H3,(H,24,26)
InChIKeyNCMHCKVEYVALCI-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.92
Rot. Bonds11

About methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate

methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate (PubChem CID 46483385) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
PubChem CID46483385
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Namemethyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
SMILESCCOc1cc(C(=O)NC(CC(=O)OC)c2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C23H29NO6/c1-5-28-19-13-17(14-20(29-6-2)22(19)30-7-3)23(26)24-18(15-21(25)27-4)16-11-9-8-10-12-16/h8-14,18H,5-7,15H2,1-4H3,(H,24,26)
InChIKeyNCMHCKVEYVALCI-UHFFFAOYSA-N
XLogP3.92
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
CID 51308652
methyl 3-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55369862
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 24554412
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
methyl (3S)-3-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 91556089
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate?
The IUPAC name of methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate (CID 46483385) is methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate is CCOc1cc(C(=O)NC(CC(=O)OC)c2ccccc2)cc(OCC)c1OCC.
What is the InChIKey of methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate?
The InChIKey is NCMHCKVEYVALCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO6/c1-5-28-19-13-17(14-20(29-6-2)22(19)30-7-3)23(26)24-18(15-21(25)27-4)16-11-9-8-10-12-16/h8-14,18H,5-7,15H2,1-4H3,(H,24,26).
What are the key properties of methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate?
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate has a molecular weight of 415.49 g/mol, XLogP of 3.92, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate is sourced from PubChem (CID 46483385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).