N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C20H23N5O — CID 51231474

IUPACN-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCCc1ccc(C(C)NC(=O)C(Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C20H23N5O/c1-3-16-9-11-18(12-10-16)15(2)22-20(26)19(25-14-21-23-24-25)13-17-7-5-4-6-8-17/h4-12,14-15,19H,3,13H2,1-2H3,(H,22,26)
InChIKeyXEUKXXDGVWEZDQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.90
Rot. Bonds7

About N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 51231474) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID51231474
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCCc1ccc(C(C)NC(=O)C(Cc2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C20H23N5O/c1-3-16-9-11-18(12-10-16)15(2)22-20(26)19(25-14-21-23-24-25)13-17-7-5-4-6-8-17/h4-12,14-15,19H,3,13H2,1-2H3,(H,22,26)
InChIKeyXEUKXXDGVWEZDQ-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 109479307
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
(2R)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 35254900
N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51078054
(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51981117
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94048317
propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate
CID 74661614
N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229552

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 51231474) is N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is CCc1ccc(C(C)NC(=O)C(Cc2ccccc2)n2cnnn2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is XEUKXXDGVWEZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-16-9-11-18(12-10-16)15(2)22-20(26)19(25-14-21-23-24-25)13-17-7-5-4-6-8-17/h4-12,14-15,19H,3,13H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 349.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51231474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).