N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide

C17H17N5O2 — CID 111487110

IUPACN-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCC(C(=O)Nc1cccc(CO)c1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H17N5O2/c1-12(17(24)18-15-9-5-6-13(10-15)11-23)22-20-16(19-21-22)14-7-3-2-4-8-14/h2-10,12,23H,11H2,1H3,(H,18,24)
InChIKeyAQASLJWAKJHZOF-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.03
Rot. Bonds5

About N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide

N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide (PubChem CID 111487110) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
PubChem CID111487110
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCC(C(=O)Nc1cccc(CO)c1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H17N5O2/c1-12(17(24)18-15-9-5-6-13(10-15)11-23)22-20-16(19-21-22)14-7-3-2-4-8-14/h2-10,12,23H,11H2,1H3,(H,18,24)
InChIKeyAQASLJWAKJHZOF-UHFFFAOYSA-N
XLogP2.03
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide 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

N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 1149424
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560248
2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 75440170
2-benzyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119233917
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide
CID 40811476
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430423
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
CID 60629921

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide (CID 111487110) is N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide is CC(C(=O)Nc1cccc(CO)c1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide?
The InChIKey is AQASLJWAKJHZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12(17(24)18-15-9-5-6-13(10-15)11-23)22-20-16(19-21-22)14-7-3-2-4-8-14/h2-10,12,23H,11H2,1H3,(H,18,24).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide?
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide has a molecular weight of 323.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide is sourced from PubChem (CID 111487110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).