5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide

C22H30N2O4 — CID 40601347

IUPAC5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@]2(C)C[C@H](NC(=O)c3ccc(C)o3)CC(C)(C)C2)o1
InChIInChI=1S/C22H30N2O4/c1-14-6-8-17(27-14)19(25)23-13-22(5)11-16(10-21(3,4)12-22)24-20(26)18-9-7-15(2)28-18/h6-9,16H,10-13H2,1-5H3,(H,23,25)(H,24,26)/t16-,22-/m1/s1
InChIKeyUCNPRAMHIOBYTH-OPAMFIHVSA-N
MW386.49 g/mol
LogP4.23
Rot. Bonds5

About 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide

5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide (PubChem CID 40601347) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
PubChem CID40601347
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@]2(C)C[C@H](NC(=O)c3ccc(C)o3)CC(C)(C)C2)o1
InChIInChI=1S/C22H30N2O4/c1-14-6-8-17(27-14)19(25)23-13-22(5)11-16(10-21(3,4)12-22)24-20(26)18-9-7-15(2)28-18/h6-9,16H,10-13H2,1-5H3,(H,23,25)(H,24,26)/t16-,22-/m1/s1
InChIKeyUCNPRAMHIOBYTH-OPAMFIHVSA-N
XLogP4.23
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

(E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide
CID 27528633
2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 4676998
2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929
N-[[5-[(2,4-difluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-difluorobenzamide
CID 4142011
N-[[(1R,5R)-1,3,3-trimethyl-5-(thiophene-2-carbonylamino)cyclohexyl]methyl]thiophene-2-carboxamide
CID 1009025
3-fluoro-N-[[(1R,5S)-5-[(3-fluorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 7427818
2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide
CID 25387928
N-[[5-[(3,4-dimethoxybenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 3996775
naphthalen-2-yl N-[3,3,5-trimethyl-5-[(naphthalene-2-carbonylamino)methyl]cyclohexyl]carbamate
CID 67179801
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S,3S)-3-[(1,3-benzodioxol-5-ylmethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 1166834
1-(2,5-dimethylphenyl)-3-[(1S,3R)-3-[[(2,5-dimethylphenyl)carbamothioylamino]methyl]-3,5,5-trimethylcyclohexyl]thiourea
CID 28875163

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide (CID 40601347) is 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide is Cc1ccc(C(=O)NC[C@]2(C)C[C@H](NC(=O)c3ccc(C)o3)CC(C)(C)C2)o1.
What is the InChIKey of 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide?
The InChIKey is UCNPRAMHIOBYTH-OPAMFIHVSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-14-6-8-17(27-14)19(25)23-13-22(5)11-16(10-21(3,4)12-22)24-20(26)18-9-7-15(2)28-18/h6-9,16H,10-13H2,1-5H3,(H,23,25)(H,24,26)/t16-,22-/m1/s1.
What are the key properties of 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide?
5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 40601347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).