4-tert-butyl-N-(2-phenylpropylideneamino)benzamide

C20H24N2O — CID 4694795

IUPAC4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
SMILESCC(C=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-15(16-8-6-5-7-9-16)14-21-22-19(23)17-10-12-18(13-11-17)20(2,3)4/h5-15H,1-4H3,(H,22,23)
InChIKeyXPUNFAALQHCIGB-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.50
Rot. Bonds4

About 4-tert-butyl-N-(2-phenylpropylideneamino)benzamide

4-tert-butyl-N-(2-phenylpropylideneamino)benzamide (PubChem CID 4694795) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-phenylpropylideneamino)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
PubChem CID4694795
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
SMILESCC(C=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-15(16-8-6-5-7-9-16)14-21-22-19(23)17-10-12-18(13-11-17)20(2,3)4/h5-15H,1-4H3,(H,22,23)
InChIKeyXPUNFAALQHCIGB-UHFFFAOYSA-N
XLogP4.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7353788
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
3-fluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 5391559
3-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7723125
tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 9074824
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclopropane-1-carboxamide
CID 7334379
N-[(E)-[(2S)-2-phenylpropylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 7494635
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7392408
4-methyl-3-nitro-N-(2-phenylpropylideneamino)benzamide
CID 4992435

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-phenylpropylideneamino)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-phenylpropylideneamino)benzamide (CID 4694795) is 4-tert-butyl-N-(2-phenylpropylideneamino)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-phenylpropylideneamino)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-phenylpropylideneamino)benzamide is CC(C=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-(2-phenylpropylideneamino)benzamide?
The InChIKey is XPUNFAALQHCIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15(16-8-6-5-7-9-16)14-21-22-19(23)17-10-12-18(13-11-17)20(2,3)4/h5-15H,1-4H3,(H,22,23).
What are the key properties of 4-tert-butyl-N-(2-phenylpropylideneamino)benzamide?
4-tert-butyl-N-(2-phenylpropylideneamino)benzamide has a molecular weight of 308.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-phenylpropylideneamino)benzamide is sourced from PubChem (CID 4694795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).