pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate

C20H24N2O4 — CID 3431622

IUPACpentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate
SMILESCCCCCOC(=O)CNC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-2-3-7-14-25-19(23)15-21-20(24)22-16-10-12-18(13-11-16)26-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3,(H2,21,22,24)
InChIKeyLGXCZLMJMURQKD-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.33
Rot. Bonds9

About pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate

pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate (PubChem CID 3431622) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Namepentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate
PubChem CID3431622
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namepentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate
SMILESCCCCCOC(=O)CNC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-2-3-7-14-25-19(23)15-21-20(24)22-16-10-12-18(13-11-16)26-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3,(H2,21,22,24)
InChIKeyLGXCZLMJMURQKD-UHFFFAOYSA-N
XLogP4.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenoxyphenyl)carbamoylamino]acetamide
CID 54573281
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
heptyl 2-anilinoacetate
CID 61302862
4-pentoxy-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 4935590
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
1-pentoxy-3-phenylurea
CID 5118367
1-O-nonyl 10-O-[(4-phenoxyphenyl)methyl] decanedioate
CID 91732980
1-benzhydryl-3-(4-decoxyphenyl)urea
CID 4304974
N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 91227714
pentyl 2-(2-phenylethylcarbamothioylamino)acetate
CID 3847977
dioctyl benzene-1,2-dicarboxylate;phenoxybenzene
CID 158493945

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate?
The IUPAC name of pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate (CID 3431622) is pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate.
What is the SMILES notation for pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate?
The canonical SMILES for pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate is CCCCCOC(=O)CNC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate?
The InChIKey is LGXCZLMJMURQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-3-7-14-25-19(23)15-21-20(24)22-16-10-12-18(13-11-16)26-17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3,(H2,21,22,24).
What are the key properties of pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate?
pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate has a molecular weight of 356.42 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate is sourced from PubChem (CID 3431622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).