2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid

C23H30N2O2 — CID 68632816

IUPAC2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid
SMILESCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CC(=O)O)CC1
InChIInChI=1S/C23H30N2O2/c1-24(2)22(19-10-6-4-7-11-19)14-16-23(17-15-22,25(3)18-21(26)27)20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3,(H,26,27)
InChIKeyJUTCENALRFKHNY-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.93
Rot. Bonds6

About 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid

2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid (PubChem CID 68632816) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid
PubChem CID68632816
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid
SMILESCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CC(=O)O)CC1
InChIInChI=1S/C23H30N2O2/c1-24(2)22(19-10-6-4-7-11-19)14-16-23(17-15-22,25(3)18-21(26)27)20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3,(H,26,27)
InChIKeyJUTCENALRFKHNY-UHFFFAOYSA-N
XLogP3.93
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dibenzylamino)acetic acid
CID 174082
(4-Benzhydryl-piperazin-1-yl)-acetic acid
CID 4741586
Methyl 2-(4-benzhydrylpiperazin-1-yl)acetate
CID 789874
3-Trityl-1,3-oxazolidin-5-one
CID 7107390
N-Tritylglycine
CID 248898
N-[4-(dimethylamino)-1,4-diphenylcyclohexyl]-N-methylacetamide
CID 44252534
2-[[4-(Dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]ethanol
CID 44253566
2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]-N,N-dimethylacetamide
CID 68632578
Alanine, N-trityl-, DL-
CID 4999077
N,N-Dibenzylglycine
CID 174081
2-[Benzyl(naphthalen-2-ylmethyl)amino]acetic acid
CID 44473508
Methyl 2-(tritylamino)acetate
CID 637611

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid?
The IUPAC name of 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid (CID 68632816) is 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid is CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CC(=O)O)CC1.
What is the InChIKey of 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid?
The InChIKey is JUTCENALRFKHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-24(2)22(19-10-6-4-7-11-19)14-16-23(17-15-22,25(3)18-21(26)27)20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3,(H,26,27).
What are the key properties of 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid?
2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid has a molecular weight of 366.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-1,4-diphenylcyclohexyl]-methylamino]acetic acid is sourced from PubChem (CID 68632816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).