(2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide

C16H19N5O — CID 167788668

IUPAC(2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide
SMILESC/C=C(\C=C\C(=O)NCc1ccc(-c2nn[nH]n2)cc1)CC
InChIInChI=1S/C16H19N5O/c1-3-12(4-2)7-10-15(22)17-11-13-5-8-14(9-6-13)16-18-20-21-19-16/h3,5-10H,4,11H2,1-2H3,(H,17,22)(H,18,19,20,21)/b10-7+,12-3-
InChIKeyYXBVLWAMJAWLNB-QVSSJFJDSA-N
MW297.36 g/mol
LogP2.40
Rot. Bonds6

About (2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide

(2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide (PubChem CID 167788668) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide
PubChem CID167788668
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide
SMILESC/C=C(\C=C\C(=O)NCc1ccc(-c2nn[nH]n2)cc1)CC
InChIInChI=1S/C16H19N5O/c1-3-12(4-2)7-10-15(22)17-11-13-5-8-14(9-6-13)16-18-20-21-19-16/h3,5-10H,4,11H2,1-2H3,(H,17,22)(H,18,19,20,21)/b10-7+,12-3-
InChIKeyYXBVLWAMJAWLNB-QVSSJFJDSA-N
XLogP2.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 119778407
(2S)-2-amino-3,3-dimethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide;hydrochloride
CID 119778410
2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 119778417
2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 99631991
4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 120591918
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060
2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 75423019
(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
CID 120931676
2-amino-2-(oxan-4-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 120792568
(2R)-3-(2-fluorophenyl)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 95773877
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide (CID 167788668) is (2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide is C/C=C(\C=C\C(=O)NCc1ccc(-c2nn[nH]n2)cc1)CC.
What is the InChIKey of (2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide?
The InChIKey is YXBVLWAMJAWLNB-QVSSJFJDSA-N. The full InChI is InChI=1S/C16H19N5O/c1-3-12(4-2)7-10-15(22)17-11-13-5-8-14(9-6-13)16-18-20-21-19-16/h3,5-10H,4,11H2,1-2H3,(H,17,22)(H,18,19,20,21)/b10-7+,12-3-.
What are the key properties of (2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide?
(2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide has a molecular weight of 297.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide is sourced from PubChem (CID 167788668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).