[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate

C18H26N2O5 — CID 7148075

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
SMILESCc1cccc(OCCCC(=O)OCC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C18H26N2O5/c1-13(2)11-19-18(23)20-16(21)12-25-17(22)8-5-9-24-15-7-4-6-14(3)10-15/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3,(H2,19,20,21,23)
InChIKeyJXNMQYZDVYQWPW-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.18
Rot. Bonds9

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate (PubChem CID 7148075) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
PubChem CID7148075
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
SMILESCc1cccc(OCCCC(=O)OCC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C18H26N2O5/c1-13(2)11-19-18(23)20-16(21)12-25-17(22)8-5-9-24-15-7-4-6-14(3)10-15/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3,(H2,19,20,21,23)
InChIKeyJXNMQYZDVYQWPW-UHFFFAOYSA-N
XLogP2.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate with MolForge

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(3-methylphenoxy)butanoate
CID 7148006
[2-(butylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 55418114
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167460
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(3-methylphenoxy)butanoate
CID 7167462
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600442
[2-(3-chloroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7167454
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148015
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7147989
[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315041
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148116
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 55306733
[2-(3-methylanilino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate
CID 7212127

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate (CID 7148075) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate is Cc1cccc(OCCCC(=O)OCC(=O)NC(=O)NCC(C)C)c1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate?
The InChIKey is JXNMQYZDVYQWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-13(2)11-19-18(23)20-16(21)12-25-17(22)8-5-9-24-15-7-4-6-14(3)10-15/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3,(H2,19,20,21,23).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate has a molecular weight of 350.42 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate is sourced from PubChem (CID 7148075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).