N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide

C24H28N6O3 — CID 1452551

IUPACN-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide
SMILESCOc1ccc(CNC(=O)Cn2nnc(-c3ccc(NC(=O)C4CCCCC4)cc3)n2)cc1
InChIInChI=1S/C24H28N6O3/c1-33-21-13-7-17(8-14-21)15-25-22(31)16-30-28-23(27-29-30)18-9-11-20(12-10-18)26-24(32)19-5-3-2-4-6-19/h7-14,19H,2-6,15-16H2,1H3,(H,25,31)(H,26,32)
InChIKeyXSUVHXUGGMUBDU-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.18
Rot. Bonds8

About N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide

N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide (PubChem CID 1452551) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide
PubChem CID1452551
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide
SMILESCOc1ccc(CNC(=O)Cn2nnc(-c3ccc(NC(=O)C4CCCCC4)cc3)n2)cc1
InChIInChI=1S/C24H28N6O3/c1-33-21-13-7-17(8-14-21)15-25-22(31)16-30-28-23(27-29-30)18-9-11-20(12-10-18)26-24(32)19-5-3-2-4-6-19/h7-14,19H,2-6,15-16H2,1H3,(H,25,31)(H,26,32)
InChIKeyXSUVHXUGGMUBDU-UHFFFAOYSA-N
XLogP3.18
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide 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 N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide (CID 1452551) is N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide is COc1ccc(CNC(=O)Cn2nnc(-c3ccc(NC(=O)C4CCCCC4)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is XSUVHXUGGMUBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-33-21-13-7-17(8-14-21)15-25-22(31)16-30-28-23(27-29-30)18-9-11-20(12-10-18)26-24(32)19-5-3-2-4-6-19/h7-14,19H,2-6,15-16H2,1H3,(H,25,31)(H,26,32).
What are the key properties of N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide?
N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 448.53 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 1452551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).