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

C18H19NO4 — CID 120512717

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 Name1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120512717
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name1-[[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
XLogP3.46
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397
methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate
CID 99840211
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43329574
1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid
CID 166242404
1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 119350549
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 17418883
1-[(3-ethoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120539178
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335
1-[[3-(2-methoxyethoxy)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538657
1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106752503
1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988

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).