3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C21H25NO — CID 100683602

IUPAC3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCc1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1C
InChIInChI=1S/C21H25NO/c1-15-10-11-17(14-16(15)2)12-13-21(23)22-20-9-5-7-18-6-3-4-8-19(18)20/h3-4,6,8,10-11,14,20H,5,7,9,12-13H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyAFWYBTPZWIPWLB-FQEVSTJZSA-N
MW307.44 g/mol
LogP4.43
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 100683602) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID100683602
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCc1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1C
InChIInChI=1S/C21H25NO/c1-15-10-11-17(14-16(15)2)12-13-21(23)22-20-9-5-7-18-6-3-4-8-19(18)20/h3-4,6,8,10-11,14,20H,5,7,9,12-13H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyAFWYBTPZWIPWLB-FQEVSTJZSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide 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

3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
3-(3,4-difluorophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 46686154
3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28578102
3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43876941
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167
3-[4-(propylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557166
3-(2-hydroxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9437286
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2468063
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-[4-(diethylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557445

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 100683602) is 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is Cc1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is AFWYBTPZWIPWLB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25NO/c1-15-10-11-17(14-16(15)2)12-13-21(23)22-20-9-5-7-18-6-3-4-8-19(18)20/h3-4,6,8,10-11,14,20H,5,7,9,12-13H2,1-2H3,(H,22,23)/t20-/m0/s1.
What are the key properties of 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 307.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 100683602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).