propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate

C23H29NO5 — CID 24516719

IUPACpropan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(C(CC(=O)OC(C)C)NC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H29NO5/c1-15(2)29-23(26)13-21(18-7-10-19(27-5)11-8-18)24-22(25)14-28-20-9-6-16(3)17(4)12-20/h6-12,15,21H,13-14H2,1-5H3,(H,24,25)
InChIKeyPYSVPXBMLCQYKO-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.89
Rot. Bonds9

About propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate

propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 24516719) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate
PubChem CID24516719
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Namepropan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(C(CC(=O)OC(C)C)NC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H29NO5/c1-15(2)29-23(26)13-21(18-7-10-19(27-5)11-8-18)24-22(25)14-28-20-9-6-16(3)17(4)12-20/h6-12,15,21H,13-14H2,1-5H3,(H,24,25)
InChIKeyPYSVPXBMLCQYKO-UHFFFAOYSA-N
XLogP3.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92685783
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46778602
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94016682
2-(4-bromo-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92679472
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573
propan-2-yl 3-[[3-(carbamoylamino)-3-(3-methylphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 42953375
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 40662016

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate (CID 24516719) is propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate is COc1ccc(C(CC(=O)OC(C)C)NC(=O)COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is PYSVPXBMLCQYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-15(2)29-23(26)13-21(18-7-10-19(27-5)11-8-18)24-22(25)14-28-20-9-6-16(3)17(4)12-20/h6-12,15,21H,13-14H2,1-5H3,(H,24,25).
What are the key properties of propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate?
propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 399.49 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 24516719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).