5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide

C28H33N3O2 — CID 58964248

IUPAC5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide
SMILESCNC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(C5CCCCC5)cc4)o3)cc2)C1
InChIInChI=1S/C28H33N3O2/c1-29-24-17-18-31(19-24)25-13-11-23(12-14-25)30-28(32)27-16-15-26(33-27)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h7-16,20,24,29H,2-6,17-19H2,1H3,(H,30,32)
InChIKeyDQHMQNWHESBGIP-UHFFFAOYSA-N
MW443.59 g/mol
LogP6.04
Rot. Bonds6

About 5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide

5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 58964248) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide
PubChem CID58964248
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide
SMILESCNC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(C5CCCCC5)cc4)o3)cc2)C1
InChIInChI=1S/C28H33N3O2/c1-29-24-17-18-31(19-24)25-13-11-23(12-14-25)30-28(32)27-16-15-26(33-27)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h7-16,20,24,29H,2-6,17-19H2,1H3,(H,30,32)
InChIKeyDQHMQNWHESBGIP-UHFFFAOYSA-N
XLogP6.04
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 56556263
5-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 1017506
N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 22448041
1-(4-cyclopentyloxyphenyl)-3-[4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]urea
CID 67147888
N-[4-[1-(3-acetamidobenzoyl)piperidin-4-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 171685515
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 142931412
5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 58866936
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide
CID 58867743
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17050290

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide (CID 58964248) is 5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide is CNC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(C5CCCCC5)cc4)o3)cc2)C1.
What is the InChIKey of 5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is DQHMQNWHESBGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-29-24-17-18-31(19-24)25-13-11-23(12-14-25)30-28(32)27-16-15-26(33-27)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h7-16,20,24,29H,2-6,17-19H2,1H3,(H,30,32).
What are the key properties of 5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide?
5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 58964248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).