N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide

C19H18N6O2 — CID 167813113

IUPACN-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)Nc2ccccc2-c2nnnn2C)cc1
InChIInChI=1S/C19H18N6O2/c1-3-17(26)20-14-10-8-13(9-11-14)12-18(27)21-16-7-5-4-6-15(16)19-22-23-24-25(19)2/h3-11H,1,12H2,2H3,(H,20,26)(H,21,27)
InChIKeyQIBDSWYKAJKDOY-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.18
Rot. Bonds6

About N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide

N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 167813113) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID167813113
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)Nc2ccccc2-c2nnnn2C)cc1
InChIInChI=1S/C19H18N6O2/c1-3-17(26)20-14-10-8-13(9-11-14)12-18(27)21-16-7-5-4-6-15(16)19-22-23-24-25(19)2/h3-11H,1,12H2,2H3,(H,20,26)(H,21,27)
InChIKeyQIBDSWYKAJKDOY-UHFFFAOYSA-N
XLogP2.18
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.18
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

N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide
CID 166421201
N-[4-[2-(2-fluoroanilino)-2-oxoethyl]phenyl]-4-(prop-2-enoylamino)benzamide
CID 154803721
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
CID 1083726
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
N-[4-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421232
N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977130
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166406056
N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421351
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-phenylacetamide
CID 91945840
N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421273
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide
CID 91945914
2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
CID 46600516

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide (CID 167813113) is N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CC(=O)Nc2ccccc2-c2nnnn2C)cc1.
What is the InChIKey of N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is QIBDSWYKAJKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-3-17(26)20-14-10-8-13(9-11-14)12-18(27)21-16-7-5-4-6-15(16)19-22-23-24-25(19)2/h3-11H,1,12H2,2H3,(H,20,26)(H,21,27).
What are the key properties of N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 362.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(1-methyltetrazol-5-yl)anilino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 167813113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).