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

C21H27NO — CID 71053714

IUPAC3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(CC(C)(C)CC)c1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-5-21(3,4)16-17-11-10-12-18(15-17)20(23)22(6-2)19-13-8-7-9-14-19/h7-15H,5-6,16H2,1-4H3
InChIKeyOFLNLSHDQOYMFQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.33
Rot. Bonds6

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

3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide (PubChem CID 71053714) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide
PubChem CID71053714
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(CC(C)(C)CC)c1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-5-21(3,4)16-17-11-10-12-18(15-17)20(23)22(6-2)19-13-8-7-9-14-19/h7-15H,5-6,16H2,1-4H3
InChIKeyOFLNLSHDQOYMFQ-UHFFFAOYSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide
CID 59836650
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
N-(3,5-dimethylphenyl)-N-ethylbenzamide
CID 52574489
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
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
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
N-ethyl-3-isocyanato-N-phenylbenzamide
CID 169352719

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide (CID 71053714) is 3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1cccc(CC(C)(C)CC)c1)c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide?
The InChIKey is OFLNLSHDQOYMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-5-21(3,4)16-17-11-10-12-18(15-17)20(23)22(6-2)19-13-8-7-9-14-19/h7-15H,5-6,16H2,1-4H3.
What are the key properties of 3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide?
3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide has a molecular weight of 309.45 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutyl)-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 71053714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).