2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid

C21H24N2O5 — CID 31265150

IUPAC2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CCCCC1
InChIInChI=1S/C21H24N2O5/c24-18(13-21(14-19(25)26)10-2-1-3-11-21)22-15-6-8-16(9-7-15)23-20(27)17-5-4-12-28-17/h4-9,12H,1-3,10-11,13-14H2,(H,22,24)(H,23,27)(H,25,26)
InChIKeyHPOGEQGHBCJHOW-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.29
Rot. Bonds7

About 2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 31265150) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID31265150
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CCCCC1
InChIInChI=1S/C21H24N2O5/c24-18(13-21(14-19(25)26)10-2-1-3-11-21)22-15-6-8-16(9-7-15)23-20(27)17-5-4-12-28-17/h4-9,12H,1-3,10-11,13-14H2,(H,22,24)(H,23,27)(H,25,26)
InChIKeyHPOGEQGHBCJHOW-UHFFFAOYSA-N
XLogP4.29
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 31616634
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(2-cyclohexylacetyl)amino]phenyl]furan-2-carboxamide
CID 30783674
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39856169
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700826
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 111445635

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid (CID 31265150) is 2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CCCCC1.
What is the InChIKey of 2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is HPOGEQGHBCJHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c24-18(13-21(14-19(25)26)10-2-1-3-11-21)22-15-6-8-16(9-7-15)23-20(27)17-5-4-12-28-17/h4-9,12H,1-3,10-11,13-14H2,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-(furan-2-carbonylamino)anilino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 31265150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).