N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide

C23H31N3O2 — CID 55936274

IUPACN-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C23H31N3O2/c1-5-17(2)21(25-22(27)19-14-10-7-11-15-19)23(28)24-16-20(26(3)4)18-12-8-6-9-13-18/h6-15,17,20-21H,5,16H2,1-4H3,(H,24,28)(H,25,27)/t17-,20?,21-/m0/s1
InChIKeyAMMRNMWMNBFWFK-ZPWCZAOQSA-N
MW381.52 g/mol
LogP3.25
Rot. Bonds9

About N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 55936274) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID55936274
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C23H31N3O2/c1-5-17(2)21(25-22(27)19-14-10-7-11-15-19)23(28)24-16-20(26(3)4)18-12-8-6-9-13-18/h6-15,17,20-21H,5,16H2,1-4H3,(H,24,28)(H,25,27)/t17-,20?,21-/m0/s1
InChIKeyAMMRNMWMNBFWFK-ZPWCZAOQSA-N
XLogP3.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide with MolForge

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Related Compounds

N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51145103
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
benzyl N-[(2R,3S)-1-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 40607644
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51195418
(2S,3S)-2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100333
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98641458
N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 30785525
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908
(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 39869905

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 55936274) is N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is AMMRNMWMNBFWFK-ZPWCZAOQSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-17(2)21(25-22(27)19-14-10-7-11-15-19)23(28)24-16-20(26(3)4)18-12-8-6-9-13-18/h6-15,17,20-21H,5,16H2,1-4H3,(H,24,28)(H,25,27)/t17-,20?,21-/m0/s1.
What are the key properties of N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55936274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).