[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate

C14H18N2O5 — CID 26728415

IUPAC[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate
SMILESCCCCNC(=O)NC(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-3-8-15-14(20)16-12(18)9-21-13(19)10-4-6-11(17)7-5-10/h4-7,17H,2-3,8-9H2,1H3,(H2,15,16,18,20)
InChIKeyZGAYORPXZDPZDX-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.17
Rot. Bonds6

About [2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate

[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 26728415) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID26728415
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate
SMILESCCCCNC(=O)NC(=O)COC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-3-8-15-14(20)16-12(18)9-21-13(19)10-4-6-11(17)7-5-10/h4-7,17H,2-3,8-9H2,1H3,(H2,15,16,18,20)
InChIKeyZGAYORPXZDPZDX-UHFFFAOYSA-N
XLogP1.17
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(butylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2645186
[2-(butylcarbamoylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 8951883
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate
CID 7515099
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612537
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 16520375
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7807585
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
CID 43214758
[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627810
[2-(butylcarbamoylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 8952490
[2-oxo-2-(propylcarbamoylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2589684

Frequently Asked Questions

What is the IUPAC name of [2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate (CID 26728415) is [2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate is CCCCNC(=O)NC(=O)COC(=O)c1ccc(O)cc1.
What is the InChIKey of [2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is ZGAYORPXZDPZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-3-8-15-14(20)16-12(18)9-21-13(19)10-4-6-11(17)7-5-10/h4-7,17H,2-3,8-9H2,1H3,(H2,15,16,18,20).
What are the key properties of [2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate?
[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 294.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 26728415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).