N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide

C19H22N2O2 — CID 70073340

IUPACN-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide
SMILESCCC(CO)NC(=O)c1ccccc1N/C=C/c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-16(14-22)21-19(23)17-10-6-7-11-18(17)20-13-12-15-8-4-3-5-9-15/h3-13,16,20,22H,2,14H2,1H3,(H,21,23)/b13-12+
InChIKeyXZEUXYOLAMJEIM-OUKQBFOZSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds7

About N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide

N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide (PubChem CID 70073340) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide
PubChem CID70073340
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide
SMILESCCC(CO)NC(=O)c1ccccc1N/C=C/c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-16(14-22)21-19(23)17-10-6-7-11-18(17)20-13-12-15-8-4-3-5-9-15/h3-13,16,20,22H,2,14H2,1H3,(H,21,23)/b13-12+
InChIKeyXZEUXYOLAMJEIM-OUKQBFOZSA-N
XLogP3.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylethenylamino)benzoic acid
CID 69497392
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 113351911
N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
CID 65313573
2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide
CID 43393208
8-[[(2R)-1-hydroxybutan-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 107214770
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 105342980
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
2-(1-hydroxybutan-2-ylamino)-1-phenylpropan-1-one
CID 82100066
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide (CID 70073340) is N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide is CCC(CO)NC(=O)c1ccccc1N/C=C/c1ccccc1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide?
The InChIKey is XZEUXYOLAMJEIM-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-16(14-22)21-19(23)17-10-6-7-11-18(17)20-13-12-15-8-4-3-5-9-15/h3-13,16,20,22H,2,14H2,1H3,(H,21,23)/b13-12+.
What are the key properties of N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide?
N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide is sourced from PubChem (CID 70073340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).