2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide

C14H20N6O — CID 43713354

IUPAC2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C14H20N6O/c1-4-9(2)13(15)14(21)16-11-6-5-7-12(8-11)20-10(3)17-18-19-20/h5-9,13H,4,15H2,1-3H3,(H,16,21)
InChIKeyKTGONUIHBZPJRL-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.28
Rot. Bonds5

About 2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide

2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide (PubChem CID 43713354) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
PubChem CID43713354
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C14H20N6O/c1-4-9(2)13(15)14(21)16-11-6-5-7-12(8-11)20-10(3)17-18-19-20/h5-9,13H,4,15H2,1-3H3,(H,16,21)
InChIKeyKTGONUIHBZPJRL-UHFFFAOYSA-N
XLogP1.28
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
2-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
3-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 81070653
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55777773
(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55939907

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide (CID 43713354) is 2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide is CCC(C)C(N)C(=O)Nc1cccc(-n2nnnc2C)c1.
What is the InChIKey of 2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
The InChIKey is KTGONUIHBZPJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-4-9(2)13(15)14(21)16-11-6-5-7-12(8-11)20-10(3)17-18-19-20/h5-9,13H,4,15H2,1-3H3,(H,16,21).
What are the key properties of 2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide has a molecular weight of 288.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide is sourced from PubChem (CID 43713354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).