N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide

C22H32N2O — CID 143249841

IUPACN-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1=C(C(=O)NC(c2ccccc2)C(C)(C)N(C)C)C=CCC1(C)C
InChIInChI=1S/C22H32N2O/c1-16-18(14-11-15-21(16,2)3)20(25)23-19(22(4,5)24(6)7)17-12-9-8-10-13-17/h8-14,19H,15H2,1-7H3,(H,23,25)
InChIKeyAQTUHMSPUNYBBW-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.49
Rot. Bonds5

About N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide

N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 143249841) 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]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide
PubChem CID143249841
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1=C(C(=O)NC(c2ccccc2)C(C)(C)N(C)C)C=CCC1(C)C
InChIInChI=1S/C22H32N2O/c1-16-18(14-11-15-21(16,2)3)20(25)23-19(22(4,5)24(6)7)17-12-9-8-10-13-17/h8-14,19H,15H2,1-7H3,(H,23,25)
InChIKeyAQTUHMSPUNYBBW-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-propylbenzamide
CID 11544630
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,6-trimethylcyclohexa-1,3-diene-1-carboxamide
CID 143249853
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
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
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2-methylbenzamide
CID 51940796
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-[2-(dimethylamino)-3-hydroxy-2-methyl-1-phenylpropyl]-2,3-dimethylbenzamide
CID 59347868
N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide
CID 112820701
(2,2,3,3,3-pentafluoro-1-phenylpropyl)carbamic acid
CID 57302331
2,4-dimethyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 59347917
1-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclopentane-1-carboxamide
CID 60852989

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide (CID 143249841) is N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide is CC1=C(C(=O)NC(c2ccccc2)C(C)(C)N(C)C)C=CCC1(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is AQTUHMSPUNYBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-16-18(14-11-15-21(16,2)3)20(25)23-19(22(4,5)24(6)7)17-12-9-8-10-13-17/h8-14,19H,15H2,1-7H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide?
N-[2-(dimethylamino)-2-methyl-1-phenylpropyl]-2,3,3-trimethylcyclohexa-1,5-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]-2,3,3-trimethylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 143249841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).