[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate

C18H26N2O6 — CID 7851101

IUPAC[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate
SMILESCCCOc1ccc(NC(=O)NC(=O)COC(=O)CC)cc1OCCC
InChIInChI=1S/C18H26N2O6/c1-4-9-24-14-8-7-13(11-15(14)25-10-5-2)19-18(23)20-16(21)12-26-17(22)6-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H2,19,20,21,23)
InChIKeySDMZFMURFCYMIG-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.87
Rot. Bonds10

About [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate

[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate (PubChem CID 7851101) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate
PubChem CID7851101
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate
SMILESCCCOc1ccc(NC(=O)NC(=O)COC(=O)CC)cc1OCCC
InChIInChI=1S/C18H26N2O6/c1-4-9-24-14-8-7-13(11-15(14)25-10-5-2)19-18(23)20-16(21)12-26-17(22)6-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H2,19,20,21,23)
InChIKeySDMZFMURFCYMIG-UHFFFAOYSA-N
XLogP2.87
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

trans-[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019475
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798734
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821118
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate
CID 7813816
2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119265988
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8709525
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414037
(2S)-2-amino-N-(3,4-dipropoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119266014
1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea
CID 2554098
N-(3-methyl-4-propoxyphenyl)propanamide
CID 130460979

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate?
The IUPAC name of [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate (CID 7851101) is [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate is CCCOc1ccc(NC(=O)NC(=O)COC(=O)CC)cc1OCCC.
What is the InChIKey of [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate?
The InChIKey is SDMZFMURFCYMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-4-9-24-14-8-7-13(11-15(14)25-10-5-2)19-18(23)20-16(21)12-26-17(22)6-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H2,19,20,21,23).
What are the key properties of [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate?
[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate has a molecular weight of 366.41 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate is sourced from PubChem (CID 7851101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).