N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide

C28H32N2O2 — CID 42993313

IUPACN-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O2/c1-19(2)23-16-11-17-24(20(3)4)27(23)30-26(31)18-25(21-12-7-5-8-13-21)29-28(32)22-14-9-6-10-15-22/h5-17,19-20,25H,18H2,1-4H3,(H,29,32)(H,30,31)
InChIKeyGWPXXYLRLAAOLG-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.43
Rot. Bonds8

About N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 42993313) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID42993313
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC NameN-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O2/c1-19(2)23-16-11-17-24(20(3)4)27(23)30-26(31)18-25(21-12-7-5-8-13-21)29-28(32)22-14-9-6-10-15-22/h5-17,19-20,25H,18H2,1-4H3,(H,29,32)(H,30,31)
InChIKeyGWPXXYLRLAAOLG-UHFFFAOYSA-N
XLogP6.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-[(1R)-3-[[(2R)-butan-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 29195709
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide (CID 42993313) is N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide is CC(C)c1cccc(C(C)C)c1NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is GWPXXYLRLAAOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-19(2)23-16-11-17-24(20(3)4)27(23)30-26(31)18-25(21-12-7-5-8-13-21)29-28(32)22-14-9-6-10-15-22/h5-17,19-20,25H,18H2,1-4H3,(H,29,32)(H,30,31).
What are the key properties of N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 6.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 42993313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).