5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane

C25H35N3O4 — CID 143994876

IUPAC5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane
SMILESCCC.CNC(=O)CNC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCCC3)c2)o1
InChIInChI=1S/C22H27N3O4.C3H8/c1-23-20(26)14-25-22(28)19-11-10-18(29-19)17-9-5-6-15(12-17)13-24-21(27)16-7-3-2-4-8-16;1-3-2/h5-6,9-12,16H,2-4,7-8,13-14H2,1H3,(H,23,26)(H,24,27)(H,25,28);3H2,1-2H3
InChIKeyCIUNDHWAXXQRPX-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.04
Rot. Bonds7

About 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane

5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane (PubChem CID 143994876) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane.

Molecular Properties

Compound Name5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane
PubChem CID143994876
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane
SMILESCCC.CNC(=O)CNC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCCC3)c2)o1
InChIInChI=1S/C22H27N3O4.C3H8/c1-23-20(26)14-25-22(28)19-11-10-18(29-19)17-9-5-6-15(12-17)13-24-21(27)16-7-3-2-4-8-16;1-3-2/h5-6,9-12,16H,2-4,7-8,13-14H2,1H3,(H,23,26)(H,24,27)(H,25,28);3H2,1-2H3
InChIKeyCIUNDHWAXXQRPX-UHFFFAOYSA-N
XLogP4.04
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane with MolForge

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Related Compounds

N-[[3-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;propane
CID 143994762
5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 143994860
N-[[3-(furan-2-yl)phenyl]methyl]cyclohexanecarboxamide
CID 66990891
N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-2-carboxamide
CID 46207181
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
CID 70227282
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide
CID 90996167
N-benzylcyclopentanecarboxamide
CID 835634
N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 91345166
2-methylpropyl N-[[4-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
CID 143994869

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane?
The IUPAC name of 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane (CID 143994876) is 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane.
What is the SMILES notation for 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane?
The canonical SMILES for 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane is CCC.CNC(=O)CNC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCCC3)c2)o1.
What is the InChIKey of 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane?
The InChIKey is CIUNDHWAXXQRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4.C3H8/c1-23-20(26)14-25-22(28)19-11-10-18(29-19)17-9-5-6-15(12-17)13-24-21(27)16-7-3-2-4-8-16;1-3-2/h5-6,9-12,16H,2-4,7-8,13-14H2,1H3,(H,23,26)(H,24,27)(H,25,28);3H2,1-2H3.
What are the key properties of 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane?
5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane has a molecular weight of 441.57 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane is sourced from PubChem (CID 143994876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).