3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide

C30H33N3O2 — CID 90929441

IUPAC3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2cccc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C30H33N3O2/c1-3-33(4-2)30(35)23-18-16-22(17-19-23)28(27-15-8-9-20-31-27)24-11-10-12-25(21-24)29(34)32-26-13-6-5-7-14-26/h5-7,10-14,16-19,21,28H,3-4,8-9,15,20H2,1-2H3,(H,32,34)
InChIKeyICWRLOLSEHXRKG-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.18
Rot. Bonds8

About 3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide

3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide (PubChem CID 90929441) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide
PubChem CID90929441
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2cccc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C30H33N3O2/c1-3-33(4-2)30(35)23-18-16-22(17-19-23)28(27-15-8-9-20-31-27)24-11-10-12-25(21-24)29(34)32-26-13-6-5-7-14-26/h5-7,10-14,16-19,21,28H,3-4,8-9,15,20H2,1-2H3,(H,32,34)
InChIKeyICWRLOLSEHXRKG-UHFFFAOYSA-N
XLogP6.18
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide
CID 91519352
N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide
CID 90985936
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
N-[4-(diethylcarbamoyl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9193125
N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835105
4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
CID 111104838
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
N-[4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840317

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide (CID 90929441) is 3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide is CCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2cccc(C(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of 3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide?
The InChIKey is ICWRLOLSEHXRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-3-33(4-2)30(35)23-18-16-22(17-19-23)28(27-15-8-9-20-31-27)24-11-10-12-25(21-24)29(34)32-26-13-6-5-7-14-26/h5-7,10-14,16-19,21,28H,3-4,8-9,15,20H2,1-2H3,(H,32,34).
What are the key properties of 3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide?
3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide has a molecular weight of 467.61 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 90929441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).