[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate

C19H28N2O5 — CID 7827574

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H28N2O5/c1-13(2)21(14(3)4)17(22)12-26-18(23)10-11-20-19(24)15-8-6-7-9-16(15)25-5/h6-9,13-14H,10-12H2,1-5H3,(H,20,24)
InChIKeyDHAJLMRJTHKXIW-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.00
Rot. Bonds9

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 7827574) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID7827574
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)OCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H28N2O5/c1-13(2)21(14(3)4)17(22)12-26-18(23)10-11-20-19(24)15-8-6-7-9-16(15)25-5/h6-9,13-14H,10-12H2,1-5H3,(H,20,24)
InChIKeyDHAJLMRJTHKXIW-UHFFFAOYSA-N
XLogP2.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate with MolForge

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Related Compounds

[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827573
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827628
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827656
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827506
[2-(3-fluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 8676064
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827702
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827565
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827795
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827723
(2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827643

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate (CID 7827574) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate is COc1ccccc1C(=O)NCCC(=O)OCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is DHAJLMRJTHKXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-13(2)21(14(3)4)17(22)12-26-18(23)10-11-20-19(24)15-8-6-7-9-16(15)25-5/h6-9,13-14H,10-12H2,1-5H3,(H,20,24).
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 364.44 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7827574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).