N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide

C30H38N2O2 — CID 58597740

IUPACN-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide
SMILESCOc1c(CC(C)C)cccc1-c1cccc(C(=O)N[C@H](CCc2ccccc2)CN(C)C)c1
InChIInChI=1S/C30H38N2O2/c1-22(2)19-25-14-10-16-28(29(25)34-5)24-13-9-15-26(20-24)30(33)31-27(21-32(3)4)18-17-23-11-7-6-8-12-23/h6-16,20,22,27H,17-19,21H2,1-5H3,(H,31,33)/t27-/m1/s1
InChIKeyHYVMUTBFMFJQOM-HHHXNRCGSA-N
MW458.65 g/mol
LogP5.85
Rot. Bonds11

About N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide

N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide (PubChem CID 58597740) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide
PubChem CID58597740
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC NameN-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide
SMILESCOc1c(CC(C)C)cccc1-c1cccc(C(=O)N[C@H](CCc2ccccc2)CN(C)C)c1
InChIInChI=1S/C30H38N2O2/c1-22(2)19-25-14-10-16-28(29(25)34-5)24-13-9-15-26(20-24)30(33)31-27(21-32(3)4)18-17-23-11-7-6-8-12-23/h6-16,20,22,27H,17-19,21H2,1-5H3,(H,31,33)/t27-/m1/s1
InChIKeyHYVMUTBFMFJQOM-HHHXNRCGSA-N
XLogP5.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide
CID 58597880
N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
CID 70821312
(2R)-2-[[3-(dimethylamino)-5-[3-[[(3S,4R,5R)-4-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)-3-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]-1,2-oxazolidin-2-yl]methyl]-2-methoxyphenyl]benzoyl]amino]-3-phenylpropanoic acid;(3S,4R,5R)-2-[[3-[3-(dimethylamino)-5-[2-(3-methylbutanoylamino)ethylcarbamoyl]phenyl]-2-methoxyphenyl]methyl]-4-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)-N-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,2-oxazolidine-3-carboxamide;(3S,4S,5R)-2-[[3-[3-[[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]carbamoyl]phenyl]-2-methoxyphenyl]methyl]-4-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)-N-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,2-oxazolidine-3-carboxamide
CID 158689769
N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
CID 58597716
N-[(1S)-1-cyclohexyl-2-(dimethylamino)ethyl]-3-[3-(2-methylpropyl)phenyl]benzamide;N-[(2R)-1-cyclohexyl-3-(dimethylamino)propan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N'-(cyclohexylmethyl)-N,N-diethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine;N-[(2R)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide;N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]-N'-[(2-piperidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 159001695
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55952896
(2S,4S)-1-[[3-[3-(dimethylamino)-5-[[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]phenyl]-2-methoxyphenyl]methyl]-4-hydroxy-N-[(1S,2S,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine-2-carboxamide
CID 23725281
1-[[3-[3-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]-5-nitrophenyl]-2-methoxyphenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;1,1,3-trimethylcyclohexane
CID 143494806
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
(3S,4R,5R)-2-[[3-[3-[[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]phenyl]-2-methoxyphenyl]methyl]-4-[(1S)-1-hydroxyethyl]-5-(hydroxymethyl)-N-[(1S,2S,3S,5R)-1,2,6,6-tetramethyl-3-bicyclo[3.1.1]heptanyl]-1,2-oxazolidine-3-carboxamide
CID 88999579
4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 117067649

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide?
The IUPAC name of N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide (CID 58597740) is N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide.
What is the SMILES notation for N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide?
The canonical SMILES for N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide is COc1c(CC(C)C)cccc1-c1cccc(C(=O)N[C@H](CCc2ccccc2)CN(C)C)c1.
What is the InChIKey of N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide?
The InChIKey is HYVMUTBFMFJQOM-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-22(2)19-25-14-10-16-28(29(25)34-5)24-13-9-15-26(20-24)30(33)31-27(21-32(3)4)18-17-23-11-7-6-8-12-23/h6-16,20,22,27H,17-19,21H2,1-5H3,(H,31,33)/t27-/m1/s1.
What are the key properties of N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide?
N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide has a molecular weight of 458.65 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide is sourced from PubChem (CID 58597740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).