N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide

C22H32N2O — CID 143249853

IUPACN-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1=CCC(C)C(C(=O)NC(c2ccccc2)C(C)(C)N(C)C)=C1C
InChIInChI=1S/C22H32N2O/c1-15-13-14-16(2)19(17(15)3)21(25)23-20(22(4,5)24(6)7)18-11-9-8-10-12-18/h8-13,16,20H,14H2,1-7H3,(H,23,25)
InChIKeyOSWAFAZPLLECIL-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.49
Rot. Bonds5

About N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide

N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 143249853) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide
PubChem CID143249853
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1=CCC(C)C(C(=O)NC(c2ccccc2)C(C)(C)N(C)C)=C1C
InChIInChI=1S/C22H32N2O/c1-15-13-14-16(2)19(17(15)3)21(25)23-20(22(4,5)24(6)7)18-11-9-8-10-12-18/h8-13,16,20H,14H2,1-7H3,(H,23,25)
InChIKeyOSWAFAZPLLECIL-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 11558867
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide
CID 143249841
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2-propylbenzamide
CID 11544630
3-chloro-N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,6-dimethylbenzamide;N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,4,6-trimethylbenzamide
CID 161061028
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide
CID 112820701
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 59347868
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704
3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 43705350
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide (CID 143249853) is N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide is CC1=CCC(C)C(C(=O)NC(c2ccccc2)C(C)(C)N(C)C)=C1C.
What is the InChIKey of N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is OSWAFAZPLLECIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-15-13-14-16(2)19(17(15)3)21(25)23-20(22(4,5)24(6)7)18-11-9-8-10-12-18/h8-13,16,20H,14H2,1-7H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide?
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 340.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 143249853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).