pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate

C20H23NO4 — CID 91735609

IUPACpentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate
SMILESCCCCCOC(=O)c1ccc(C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-4-7-14-25-20(23)16-12-10-15(11-13-16)19(22)21-17-8-5-6-9-18(17)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)
InChIKeyVYPKJRDLKPYFBQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.29
Rot. Bonds8

About pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate

pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate (PubChem CID 91735609) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namepentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate
PubChem CID91735609
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate
SMILESCCCCCOC(=O)c1ccc(C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO4/c1-3-4-7-14-25-20(23)16-12-10-15(11-13-16)19(22)21-17-8-5-6-9-18(17)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22)
InChIKeyVYPKJRDLKPYFBQ-UHFFFAOYSA-N
XLogP4.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
butyl 4-[[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 40883460
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
butyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 18289886
octyl 4-[[3-(2-methoxyphenyl)-3-oxopropanoyl]amino]benzoate
CID 4550624
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
methane;1-O-methyl 4-O-pentyl benzene-1,4-dicarboxylate
CID 158882283
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
butyl 4-[[4-[(4-butoxycarbonylbenzoyl)amino]-9,10-dioxoanthracen-1-yl]carbamoyl]benzoate
CID 6144251

Frequently Asked Questions

What is the IUPAC name of pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate?
The IUPAC name of pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate (CID 91735609) is pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate.
What is the SMILES notation for pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate?
The canonical SMILES for pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate is CCCCCOC(=O)c1ccc(C(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate?
The InChIKey is VYPKJRDLKPYFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-4-7-14-25-20(23)16-12-10-15(11-13-16)19(22)21-17-8-5-6-9-18(17)24-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,22).
What are the key properties of pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate?
pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate has a molecular weight of 341.41 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-[(2-methoxyphenyl)carbamoyl]benzoate is sourced from PubChem (CID 91735609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).