(Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide

C15H19N5O2 — CID 110886280

IUPAC(Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide
SMILESCCC(CO)NC(=O)/C(=C/c1ccccc1)n1nnnc1C
InChIInChI=1S/C15H19N5O2/c1-3-13(10-21)16-15(22)14(20-11(2)17-18-19-20)9-12-7-5-4-6-8-12/h4-9,13,21H,3,10H2,1-2H3,(H,16,22)/b14-9-
InChIKeyGCOUBSVRSGUNFY-ZROIWOOFSA-N
MW301.35 g/mol
LogP0.87
Rot. Bonds6

About (Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide

(Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide (PubChem CID 110886280) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide
PubChem CID110886280
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide
SMILESCCC(CO)NC(=O)/C(=C/c1ccccc1)n1nnnc1C
InChIInChI=1S/C15H19N5O2/c1-3-13(10-21)16-15(22)14(20-11(2)17-18-19-20)9-12-7-5-4-6-8-12/h4-9,13,21H,3,10H2,1-2H3,(H,16,22)/b14-9-
InChIKeyGCOUBSVRSGUNFY-ZROIWOOFSA-N
XLogP0.87
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7363983
(Z)-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide
CID 6532793
2-oxopropyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7908907
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7556978
[2-(N-ethylanilino)-2-oxoethyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 8572990
[2-(3-methylbutylamino)-2-oxoethyl] (E)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 6223671
(2-phenoxyphenyl)methyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7556835
methyl 4-[[(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoyl]oxymethyl]benzoate
CID 6533691
[2-(2-methylanilino)-2-oxoethyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7556938
naphthalen-1-ylmethyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7908880
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-en-1-one
CID 126775421
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7908914

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide (CID 110886280) is (Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide is CCC(CO)NC(=O)/C(=C/c1ccccc1)n1nnnc1C.
What is the InChIKey of (Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide?
The InChIKey is GCOUBSVRSGUNFY-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-13(10-21)16-15(22)14(20-11(2)17-18-19-20)9-12-7-5-4-6-8-12/h4-9,13,21H,3,10H2,1-2H3,(H,16,22)/b14-9-.
What are the key properties of (Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide?
(Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide has a molecular weight of 301.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-hydroxybutan-2-yl)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 110886280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).