N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide

C21H26N2O2 — CID 75807602

IUPACN-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide
SMILESCCN(CCc1ccccc1)C(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-23(15-14-18-10-6-4-7-11-18)20(24)16-17(2)22-21(25)19-12-8-5-9-13-19/h4-13,17H,3,14-16H2,1-2H3,(H,22,25)
InChIKeyBILMHZNNARIBLK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.29
Rot. Bonds8

About N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide

N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide (PubChem CID 75807602) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide
PubChem CID75807602
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide
SMILESCCN(CCc1ccccc1)C(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-23(15-14-18-10-6-4-7-11-18)20(24)16-17(2)22-21(25)19-12-8-5-9-13-19/h4-13,17H,3,14-16H2,1-2H3,(H,22,25)
InChIKeyBILMHZNNARIBLK-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 78855760
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N-[1-[benzoyl(ethyl)amino]propan-2-yl]benzamide
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N-[4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutan-2-yl]benzamide
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CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
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2-anilino-N-ethyl-N-(2-phenylethyl)acetamide
CID 60946372
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
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N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide (CID 75807602) is N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide is CCN(CCc1ccccc1)C(=O)CC(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is BILMHZNNARIBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-23(15-14-18-10-6-4-7-11-18)20(24)16-17(2)22-21(25)19-12-8-5-9-13-19/h4-13,17H,3,14-16H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide?
N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(2-phenylethyl)amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 75807602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).