N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide

C24H32N8O2 — CID 167832296

IUPACN-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide
SMILESCN(CCCN)CCCNC(=O)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H32N8O2/c1-31(16-5-14-25)17-6-15-26-23(33)24(34)27-21-11-9-19(10-12-21)13-18-32-29-22(28-30-32)20-7-3-2-4-8-20/h2-4,7-12H,5-6,13-18,25H2,1H3,(H,26,33)(H,27,34)
InChIKeyNOABTIYQNIXQIN-UHFFFAOYSA-N
MW464.57 g/mol
LogP1.31
Rot. Bonds12

About N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide

N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide (PubChem CID 167832296) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide.

Molecular Properties

Compound NameN-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide
PubChem CID167832296
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC NameN-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide
SMILESCN(CCCN)CCCNC(=O)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H32N8O2/c1-31(16-5-14-25)17-6-15-26-23(33)24(34)27-21-11-9-19(10-12-21)13-18-32-29-22(28-30-32)20-7-3-2-4-8-20/h2-4,7-12H,5-6,13-18,25H2,1H3,(H,26,33)(H,27,34)
InChIKeyNOABTIYQNIXQIN-UHFFFAOYSA-N
XLogP1.31
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride
CID 119764922
2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide
CID 119764919
1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclopentane-1-carboxamide
CID 119312718
2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride
CID 120988311
1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide
CID 119312724
N-(3-anilinopropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 52899659
2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
CID 177376612
2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide
CID 177376609
2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
CID 177376615
N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide
CID 60614990
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
N-[2-(4-methoxyphenyl)ethyl]-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 51048872

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide?
The IUPAC name of N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide (CID 167832296) is N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide.
What is the SMILES notation for N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide?
The canonical SMILES for N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide is CN(CCCN)CCCNC(=O)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide?
The InChIKey is NOABTIYQNIXQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-31(16-5-14-25)17-6-15-26-23(33)24(34)27-21-11-9-19(10-12-21)13-18-32-29-22(28-30-32)20-7-3-2-4-8-20/h2-4,7-12H,5-6,13-18,25H2,1H3,(H,26,33)(H,27,34).
What are the key properties of N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide?
N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide has a molecular weight of 464.57 g/mol, XLogP of 1.31, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide is sourced from PubChem (CID 167832296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).