4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide

C22H27NO — CID 177366976

IUPAC4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
SMILESCC(C)=C(C)c1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1C
InChIInChI=1S/C22H27NO/c1-15(2)18(5)21-13-20(12-11-16(21)3)22(24)23-14-17(4)19-9-7-6-8-10-19/h6-13,17H,14H2,1-5H3,(H,23,24)/t17-/m0/s1
InChIKeyAIJOJFWESXYTGW-KRWDZBQOSA-N
MW321.46 g/mol
LogP5.34
Rot. Bonds5

About 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide

4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide (PubChem CID 177366976) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
PubChem CID177366976
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
SMILESCC(C)=C(C)c1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1C
InChIInChI=1S/C22H27NO/c1-15(2)18(5)21-13-20(12-11-16(21)3)22(24)23-14-17(4)19-9-7-6-8-10-19/h6-13,17H,14H2,1-5H3,(H,23,24)/t17-/m0/s1
InChIKeyAIJOJFWESXYTGW-KRWDZBQOSA-N
XLogP5.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-methyl-3-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 26778619
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
4-ethoxy-3-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 100550465
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
CID 156841315
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
5-iodo-N-(2-phenylpropyl)thiophene-3-carboxamide
CID 78948957
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide?
The IUPAC name of 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide (CID 177366976) is 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide.
What is the SMILES notation for 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide?
The canonical SMILES for 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide is CC(C)=C(C)c1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1C.
What is the InChIKey of 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide?
The InChIKey is AIJOJFWESXYTGW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27NO/c1-15(2)18(5)21-13-20(12-11-16(21)3)22(24)23-14-17(4)19-9-7-6-8-10-19/h6-13,17H,14H2,1-5H3,(H,23,24)/t17-/m0/s1.
What are the key properties of 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide?
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide has a molecular weight of 321.46 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide is sourced from PubChem (CID 177366976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).