5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide

C24H35N3O2 — CID 5203089

IUPAC5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
SMILESCc1cccc(CN(Cc2ccc(C(=O)NCCN(C)C)o2)C2CCCCC2)c1
InChIInChI=1S/C24H35N3O2/c1-19-8-7-9-20(16-19)17-27(21-10-5-4-6-11-21)18-22-12-13-23(29-22)24(28)25-14-15-26(2)3/h7-9,12-13,16,21H,4-6,10-11,14-15,17-18H2,1-3H3,(H,25,28)
InChIKeyVBXFHXUVRCQIDB-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.21
Rot. Bonds9

About 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide

5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide (PubChem CID 5203089) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
PubChem CID5203089
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
SMILESCc1cccc(CN(Cc2ccc(C(=O)NCCN(C)C)o2)C2CCCCC2)c1
InChIInChI=1S/C24H35N3O2/c1-19-8-7-9-20(16-19)17-27(21-10-5-4-6-11-21)18-22-12-13-23(29-22)24(28)25-14-15-26(2)3/h7-9,12-13,16,21H,4-6,10-11,14-15,17-18H2,1-3H3,(H,25,28)
InChIKeyVBXFHXUVRCQIDB-UHFFFAOYSA-N
XLogP4.21
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(2,4-dichlorophenyl)ethyl]furan-2-carboxamide
CID 5174076
5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 3353343
N-butan-2-yl-5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxamide
CID 3652203
3-[1-[5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 3940788
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 42750810
5-[[(4-bromophenyl)methyl-cyclohexylamino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3929404
N-benzhydryl-5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-carboxamide
CID 42750819
5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-[cyclohexyl(methyl)amino]propyl]furan-2-carboxamide
CID 20968743
ethyl 4-[5-[[cyclohexyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3528580
N-[2-(diethylamino)ethyl]-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 4107619
5-[[4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 42824972

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide (CID 5203089) is 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide is Cc1cccc(CN(Cc2ccc(C(=O)NCCN(C)C)o2)C2CCCCC2)c1.
What is the InChIKey of 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
The InChIKey is VBXFHXUVRCQIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-19-8-7-9-20(16-19)17-27(21-10-5-4-6-11-21)18-22-12-13-23(29-22)24(28)25-14-15-26(2)3/h7-9,12-13,16,21H,4-6,10-11,14-15,17-18H2,1-3H3,(H,25,28).
What are the key properties of 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide?
5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl-[(3-methylphenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 5203089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).