methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate

C22H26N2O7 — CID 155775583

IUPACmethyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate
SMILESCOC(=O)[C@H](COCc1ccccc1)NC(=O)CNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C22H26N2O7/c1-28-16-9-10-17(19(11-16)29-2)21(26)23-12-20(25)24-18(22(27)30-3)14-31-13-15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3,(H,23,26)(H,24,25)/t18-/m0/s1
InChIKeyDYMYLEVLBMHIFK-SFHVURJKSA-N
MW430.46 g/mol
LogP1.31
Rot. Bonds11

About methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate

methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate (PubChem CID 155775583) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate
PubChem CID155775583
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Namemethyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate
SMILESCOC(=O)[C@H](COCc1ccccc1)NC(=O)CNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C22H26N2O7/c1-28-16-9-10-17(19(11-16)29-2)21(26)23-12-20(25)24-18(22(27)30-3)14-31-13-15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3,(H,23,26)(H,24,25)/t18-/m0/s1
InChIKeyDYMYLEVLBMHIFK-SFHVURJKSA-N
XLogP1.31
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate with MolForge

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Related Compounds

methyl 3-[(2,4-dimethoxybenzoyl)amino]-2-iodopropanoate
CID 103493347
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
CID 3662059
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
N-[(3-hydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 61018179
N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide
CID 9480532
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 55935826
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
CID 120546954
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate?
The IUPAC name of methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate (CID 155775583) is methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate.
What is the SMILES notation for methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate?
The canonical SMILES for methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate is COC(=O)[C@H](COCc1ccccc1)NC(=O)CNC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate?
The InChIKey is DYMYLEVLBMHIFK-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-28-16-9-10-17(19(11-16)29-2)21(26)23-12-20(25)24-18(22(27)30-3)14-31-13-15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3,(H,23,26)(H,24,25)/t18-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate?
methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate has a molecular weight of 430.46 g/mol, XLogP of 1.31, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-[(2,4-dimethoxybenzoyl)amino]acetyl]amino]-3-phenylmethoxypropanoate is sourced from PubChem (CID 155775583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).