N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

C23H30N2O — CID 9260941

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H30N2O/c1-16(2)19-13-7-9-17(3)23(19)24-22(26)15-25(4)21-14-8-11-18-10-5-6-12-20(18)21/h5-7,9-10,12-13,16,21H,8,11,14-15H2,1-4H3,(H,24,26)/t21-/m1/s1
InChIKeyKWJRQOOZJRWYEU-OAQYLSRUSA-N
MW350.51 g/mol
LogP5.07
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (PubChem CID 9260941) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
PubChem CID9260941
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN(C)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H30N2O/c1-16(2)19-13-7-9-17(3)23(19)24-22(26)15-25(4)21-14-8-11-18-10-5-6-12-20(18)21/h5-7,9-10,12-13,16,21H,8,11,14-15H2,1-4H3,(H,24,26)/t21-/m1/s1
InChIKeyKWJRQOOZJRWYEU-OAQYLSRUSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260596
N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9347975
N-(2,5-dimethylphenyl)-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 46807738
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260457
N-(1-methylpyrazol-3-yl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 124758545
N-(2-acetylphenyl)-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 43025249
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(phenylcarbamoyl)acetamide
CID 8680982
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide
CID 8681009
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 51171522

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (CID 9260941) is N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@@H]1CCCc2ccccc21.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The InChIKey is KWJRQOOZJRWYEU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N2O/c1-16(2)19-13-7-9-17(3)23(19)24-22(26)15-25(4)21-14-8-11-18-10-5-6-12-20(18)21/h5-7,9-10,12-13,16,21H,8,11,14-15H2,1-4H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide has a molecular weight of 350.51 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is sourced from PubChem (CID 9260941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).