3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide

C20H25NO — CID 59836650

IUPAC3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(CC(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-5-21(18-12-7-6-8-13-18)19(22)17-11-9-10-16(14-17)15-20(2,3)4/h6-14H,5,15H2,1-4H3
InChIKeyBTAXXRCJWOCMKH-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.94
Rot. Bonds4

About 3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide

3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide (PubChem CID 59836650) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide
PubChem CID59836650
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(CC(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-5-21(18-12-7-6-8-13-18)19(22)17-11-9-10-16(14-17)15-20(2,3)4/h6-14H,5,15H2,1-4H3
InChIKeyBTAXXRCJWOCMKH-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide
CID 71053714
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
N-ethyl-N-phenyl-3-(2-phenylethoxy)benzamide
CID 17134260
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
N-(3,5-dimethylphenyl)-N-ethylbenzamide
CID 52574489
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
N-ethyl-3-isocyanato-N-phenylbenzamide
CID 169352719
3-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838774

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide (CID 59836650) is 3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1cccc(CC(C)(C)C)c1)c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide?
The InChIKey is BTAXXRCJWOCMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-5-21(18-12-7-6-8-13-18)19(22)17-11-9-10-16(14-17)15-20(2,3)4/h6-14H,5,15H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide?
3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide has a molecular weight of 295.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 59836650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).