N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide

C19H21N3O2 — CID 7230019

IUPACN-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide
SMILESCCC(C)=NNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-3-14(2)21-22-19(24)17(15-10-6-4-7-11-15)20-18(23)16-12-8-5-9-13-16/h4-13,17H,3H2,1-2H3,(H,20,23)(H,22,24)/t17-/m1/s1
InChIKeyLVUOGAWAQOMWPJ-QGZVFWFLSA-N
MW323.40 g/mol
LogP3.06
Rot. Bonds6

About N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide

N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide (PubChem CID 7230019) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide
PubChem CID7230019
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide
SMILESCCC(C)=NNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-3-14(2)21-22-19(24)17(15-10-6-4-7-11-15)20-18(23)16-12-8-5-9-13-16/h4-13,17H,3H2,1-2H3,(H,20,23)(H,22,24)/t17-/m1/s1
InChIKeyLVUOGAWAQOMWPJ-QGZVFWFLSA-N
XLogP3.06
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
CID 9153067
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120654480
ethyl 3-benzamido-2-oxo-3-phenylpropanoate
CID 11809094
4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286605
N-[2-[2-(2-methylphenyl)ethylamino]-2-oxo-1-phenylethyl]benzamide
CID 55456531
N-(2-anilino-2-oxo-1-phenylethyl)-4-ethylbenzamide
CID 55726687
4-oxohexan-3-yl 2-benzamido-2-phenylacetate
CID 118265046
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide (CID 7230019) is N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide is CCC(C)=NNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide?
The InChIKey is LVUOGAWAQOMWPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-14(2)21-22-19(24)17(15-10-6-4-7-11-15)20-18(23)16-12-8-5-9-13-16/h4-13,17H,3H2,1-2H3,(H,20,23)(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide?
N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2-butan-2-ylidenehydrazinyl)-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 7230019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).