3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide

C14H17N5O — CID 76923509

IUPAC3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NC(C)c2nn[nH]n2)cc1
InChIInChI=1S/C14H17N5O/c1-3-11-4-6-12(7-5-11)8-9-13(20)15-10(2)14-16-18-19-17-14/h4-10H,3H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeyNVJNUDLWMOYGBS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.65
Rot. Bonds5

About 3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide

3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide (PubChem CID 76923509) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
PubChem CID76923509
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NC(C)c2nn[nH]n2)cc1
InChIInChI=1S/C14H17N5O/c1-3-11-4-6-12(7-5-11)8-9-13(20)15-10(2)14-16-18-19-17-14/h4-10H,3H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeyNVJNUDLWMOYGBS-UHFFFAOYSA-N
XLogP1.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
3-(3-cyanophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
CID 76924053
methyl (2R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]propanoate
CID 113257899
3-(5-bromofuran-2-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide
CID 76923723
N-[1-(2H-tetrazol-5-yl)ethyl]hexa-2,4-dienamide
CID 76923671
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 77064988
(2S,3R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 104964479
(E)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-(4-fluorophenyl)prop-2-enamide
CID 18285220
(2S)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]butanedioic acid
CID 112733129
5-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]hexanoic acid
CID 82845058
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
methyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 43407215

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide (CID 76923509) is 3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide is CCc1ccc(C=CC(=O)NC(C)c2nn[nH]n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is NVJNUDLWMOYGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-3-11-4-6-12(7-5-11)8-9-13(20)15-10(2)14-16-18-19-17-14/h4-10H,3H2,1-2H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide?
3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 76923509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).