1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid

Name: 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₉NO₄ — CID 120512717

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid

SMILESO=C(NC1(C(=O)O)CCCCC1)c1cccc(-c2ccoc2)c1

InChIInChI=1S/C18H19NO4/c20-16(19-18(17(21)22)8-2-1-3-9-18)14-6-4-5-13(11-14)15-7-10-23-12-15/h4-7,10-12H,1-3,8-9H2,(H,19,20)(H,21,22)

InChIKeyNNUCHWZQMQVBHS-UHFFFAOYSA-N

MW313.35 g/mol

LogP3.46

Rot. Bonds4

About 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid

1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120512717) has the molecular formula C₁₈H₁₉NO₄ and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name	1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID	120512717
Molecular Formula	C₁₈H₁₉NO₄
Molecular Weight	313.35 g/mol
Exact Mass	313.13
IUPAC Name	1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILES	O=C(NC1(C(=O)O)CCCCC1)c1cccc(-c2ccoc2)c1
InChI	InChI=1S/C18H19NO4/c20-16(19-18(17(21)22)8-2-1-3-9-18)14-6-4-5-13(11-14)15-7-10-23-12-15/h4-7,10-12H,1-3,8-9H2,(H,19,20)(H,21,22)
InChIKey	NNUCHWZQMQVBHS-UHFFFAOYSA-N
XLogP	3.46
TPSA	79.54 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.35
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?

The IUPAC name of 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 120512717) is 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?

The canonical SMILES for 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1cccc(-c2ccoc2)c1.

What is the InChIKey of 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?

The InChIKey is NNUCHWZQMQVBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-16(19-18(17(21)22)8-2-1-3-9-18)14-6-4-5-13(11-14)15-7-10-23-12-15/h4-7,10-12H,1-3,8-9H2,(H,19,20)(H,21,22).

What are the key properties of 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid?

1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120512717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 120512717 — identifiers, structure, computed properties (public domain)

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