2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide

C27H31N7O2 — CID 44567664

IUPAC2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(CCCN(C)Cc1ccc(-c2nn[nH]n2)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H31N7O2/c1-33(19-21-9-11-22(12-10-21)27-29-31-32-30-27)17-6-18-34(2)20-26(35)28-23-13-15-25(16-14-23)36-24-7-4-3-5-8-24/h3-5,7-16H,6,17-20H2,1-2H3,(H,28,35)(H,29,30,31,32)
InChIKeyHANMVYCPBCNRMX-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.05
Rot. Bonds12

About 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide

2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 44567664) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide
PubChem CID44567664
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(CCCN(C)Cc1ccc(-c2nn[nH]n2)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H31N7O2/c1-33(19-21-9-11-22(12-10-21)27-29-31-32-30-27)17-6-18-34(2)20-26(35)28-23-13-15-25(16-14-23)36-24-7-4-3-5-8-24/h3-5,7-16H,6,17-20H2,1-2H3,(H,28,35)(H,29,30,31,32)
InChIKeyHANMVYCPBCNRMX-UHFFFAOYSA-N
XLogP4.05
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide 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 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide (CID 44567664) is 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide is CN(CCCN(C)Cc1ccc(-c2nn[nH]n2)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is HANMVYCPBCNRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-33(19-21-9-11-22(12-10-21)27-29-31-32-30-27)17-6-18-34(2)20-26(35)28-23-13-15-25(16-14-23)36-24-7-4-3-5-8-24/h3-5,7-16H,6,17-20H2,1-2H3,(H,28,35)(H,29,30,31,32).
What are the key properties of 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 485.59 g/mol, XLogP of 4.05, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 44567664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).