methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate

C19H28N2O5 — CID 11187645

IUPACmethyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate
SMILESCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1
InChIInChI=1S/C19H28N2O5/c1-7-21(8-2)18(23)14-9-10-15(16(11-14)26-12(3)4)17(22)20-13(5)19(24)25-6/h9-13H,7-8H2,1-6H3,(H,20,22)/t13-/m0/s1
InChIKeyXNNHWNQIKUKNNJ-ZDUSSCGKSA-N
MW364.44 g/mol
LogP2.25
Rot. Bonds8

About methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate

methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate (PubChem CID 11187645) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate
PubChem CID11187645
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namemethyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate
SMILESCCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1
InChIInChI=1S/C19H28N2O5/c1-7-21(8-2)18(23)14-9-10-15(16(11-14)26-12(3)4)17(22)20-13(5)19(24)25-6/h9-13H,7-8H2,1-6H3,(H,20,22)/t13-/m0/s1
InChIKeyXNNHWNQIKUKNNJ-ZDUSSCGKSA-N
XLogP2.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate (CID 11187645) is methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate is CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1.
What is the InChIKey of methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate?
The InChIKey is XNNHWNQIKUKNNJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-7-21(8-2)18(23)14-9-10-15(16(11-14)26-12(3)4)17(22)20-13(5)19(24)25-6/h9-13H,7-8H2,1-6H3,(H,20,22)/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate?
methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate has a molecular weight of 364.44 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[4-(diethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]propanoate is sourced from PubChem (CID 11187645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).