N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide

C14H20N6O — CID 119434349

IUPACN-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCNCCCNC(=O)C(C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H20N6O/c1-11(14(21)16-10-6-9-15-2)20-18-13(17-19-20)12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,16,21)
InChIKeyVTIBKSBAGJPQEQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.63
Rot. Bonds7

About N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide

N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide (PubChem CID 119434349) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
PubChem CID119434349
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCNCCCNC(=O)C(C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H20N6O/c1-11(14(21)16-10-6-9-15-2)20-18-13(17-19-20)12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,16,21)
InChIKeyVTIBKSBAGJPQEQ-UHFFFAOYSA-N
XLogP0.63
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881
2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 86908769
2-benzyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119233917
N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119644028
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119568560
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 120889053
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560248

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide (CID 119434349) is N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide is CNCCCNC(=O)C(C)n1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The InChIKey is VTIBKSBAGJPQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-11(14(21)16-10-6-9-15-2)20-18-13(17-19-20)12-7-4-3-5-8-12/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,16,21).
What are the key properties of N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide?
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide is sourced from PubChem (CID 119434349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).