4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide

C34H48N2O4 — CID 126716916

IUPAC4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide
SMILESCOCC1CCN(c2cccc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(O)CC3)c2)C1
InChIInChI=1S/C34H48N2O4/c1-24-19-29(13-16-33(24)40-3)27-9-7-25(8-10-27)22-36(34(38)28-11-14-32(37)15-12-28)31-6-4-5-30(20-31)35-18-17-26(21-35)23-39-2/h4-6,13,16,19-20,25-28,32,37H,7-12,14-15,17-18,21-23H2,1-3H3
InChIKeyFNWSQSONDCBXJY-UHFFFAOYSA-N
MW548.77 g/mol
LogP6.33
Rot. Bonds9

About 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide

4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide (PubChem CID 126716916) has the molecular formula C34H48N2O4 and a molecular weight of 548.77 g/mol. Its IUPAC name is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide
PubChem CID126716916
Molecular FormulaC34H48N2O4
Molecular Weight548.77 g/mol
Exact Mass548.36
IUPAC Name4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide
SMILESCOCC1CCN(c2cccc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(O)CC3)c2)C1
InChIInChI=1S/C34H48N2O4/c1-24-19-29(13-16-33(24)40-3)27-9-7-25(8-10-27)22-36(34(38)28-11-14-32(37)15-12-28)31-6-4-5-30(20-31)35-18-17-26(21-35)23-39-2/h4-6,13,16,19-20,25-28,32,37H,7-12,14-15,17-18,21-23H2,1-3H3
InChIKeyFNWSQSONDCBXJY-UHFFFAOYSA-N
XLogP6.33
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.77
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide (CID 126716916) is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide is COCC1CCN(c2cccc(N(CC3CCC(c4ccc(OC)c(C)c4)CC3)C(=O)C3CCC(O)CC3)c2)C1.
What is the InChIKey of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is FNWSQSONDCBXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N2O4/c1-24-19-29(13-16-33(24)40-3)27-9-7-25(8-10-27)22-36(34(38)28-11-14-32(37)15-12-28)31-6-4-5-30(20-31)35-18-17-26(21-35)23-39-2/h4-6,13,16,19-20,25-28,32,37H,7-12,14-15,17-18,21-23H2,1-3H3.
What are the key properties of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide?
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 548.77 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 126716916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).