1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide

C23H28N2O3 — CID 53110351

IUPAC1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(c3ccc(NC(=O)C4CC4)cc3)CCCCC2)o1
InChIInChI=1S/C23H28N2O3/c1-16-5-12-20(28-16)15-24-22(27)23(13-3-2-4-14-23)18-8-10-19(11-9-18)25-21(26)17-6-7-17/h5,8-12,17H,2-4,6-7,13-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyIYLKMYKBIRGQQZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.45
Rot. Bonds6

About 1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide

1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 53110351) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID53110351
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(c3ccc(NC(=O)C4CC4)cc3)CCCCC2)o1
InChIInChI=1S/C23H28N2O3/c1-16-5-12-20(28-16)15-24-22(27)23(13-3-2-4-14-23)18-8-10-19(11-9-18)25-21(26)17-6-7-17/h5,8-12,17H,2-4,6-7,13-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyIYLKMYKBIRGQQZ-UHFFFAOYSA-N
XLogP4.45
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide (CID 53110351) is 1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide is Cc1ccc(CNC(=O)C2(c3ccc(NC(=O)C4CC4)cc3)CCCCC2)o1.
What is the InChIKey of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is IYLKMYKBIRGQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-5-12-20(28-16)15-24-22(27)23(13-3-2-4-14-23)18-8-10-19(11-9-18)25-21(26)17-6-7-17/h5,8-12,17H,2-4,6-7,13-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide?
1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonylamino)phenyl]-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 53110351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).