N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide

C24H34N2O — CID 58597716

IUPACN-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
SMILESCC(C)Cc1cccc(-c2cccc(C(=O)N[C@H](CN(C)C)C(C)C)c2)c1
InChIInChI=1S/C24H34N2O/c1-17(2)13-19-9-7-10-20(14-19)21-11-8-12-22(15-21)24(27)25-23(18(3)4)16-26(5)6/h7-12,14-15,17-18,23H,13,16H2,1-6H3,(H,25,27)/t23-/m1/s1
InChIKeyMTFGDVRSQBWWNV-HSZRJFAPSA-N
MW366.55 g/mol
LogP4.87
Rot. Bonds8

About N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide

N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide (PubChem CID 58597716) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
PubChem CID58597716
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
SMILESCC(C)Cc1cccc(-c2cccc(C(=O)N[C@H](CN(C)C)C(C)C)c2)c1
InChIInChI=1S/C24H34N2O/c1-17(2)13-19-9-7-10-20(14-19)21-11-8-12-22(15-21)24(27)25-23(18(3)4)16-26(5)6/h7-12,14-15,17-18,23H,13,16H2,1-6H3,(H,25,27)/t23-/m1/s1
InChIKeyMTFGDVRSQBWWNV-HSZRJFAPSA-N
XLogP4.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide
CID 70821312
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide
CID 103957072
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide
CID 55163659
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
CID 55041620
N,3-bis(2-methylpropyl)benzamide
CID 176945198
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
CID 61479913
N-[(2R)-1-(dimethylamino)-4-phenylbutan-2-yl]-3-[2-methoxy-3-(2-methylpropyl)phenyl]benzamide
CID 58597740
(3S,4R,5R)-2-[[3-[3-[[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]phenyl]phenyl]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 88999403
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide
CID 107025299
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide (CID 58597716) is N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide is CC(C)Cc1cccc(-c2cccc(C(=O)N[C@H](CN(C)C)C(C)C)c2)c1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide?
The InChIKey is MTFGDVRSQBWWNV-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H34N2O/c1-17(2)13-19-9-7-10-20(14-19)21-11-8-12-22(15-21)24(27)25-23(18(3)4)16-26(5)6/h7-12,14-15,17-18,23H,13,16H2,1-6H3,(H,25,27)/t23-/m1/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide?
N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide has a molecular weight of 366.55 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]-3-[3-(2-methylpropyl)phenyl]benzamide is sourced from PubChem (CID 58597716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).