N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide

C18H22N2O — CID 51696070

IUPACN-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1)[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C18H22N2O/c1-14(19-18(21)16-12-8-5-9-13-16)17(20(2)3)15-10-6-4-7-11-15/h4-14,17H,1-3H3,(H,19,21)/t14-,17-/m1/s1
InChIKeyBSEBOXRPIWDTLS-RHSMWYFYSA-N
MW282.39 g/mol
LogP3.11
Rot. Bonds5

About N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide

N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide (PubChem CID 51696070) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
PubChem CID51696070
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1)[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C18H22N2O/c1-14(19-18(21)16-12-8-5-9-13-16)17(20(2)3)15-10-6-4-7-11-15/h4-14,17H,1-3H3,(H,19,21)/t14-,17-/m1/s1
InChIKeyBSEBOXRPIWDTLS-RHSMWYFYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide
CID 129358274
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide
CID 124619228
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide
CID 99785478
4-benzoyl-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide
CID 154861680
N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide
CID 99839436
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 112700980
N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide
CID 119036959
3-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]benzoic acid
CID 122032989
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
(2S)-2-benzamido-3-phenylbutanoic acid
CID 18652423

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide (CID 51696070) is N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide is C[C@@H](NC(=O)c1ccccc1)[C@H](c1ccccc1)N(C)C.
What is the InChIKey of N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide?
The InChIKey is BSEBOXRPIWDTLS-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(19-18(21)16-12-8-5-9-13-16)17(20(2)3)15-10-6-4-7-11-15/h4-14,17H,1-3H3,(H,19,21)/t14-,17-/m1/s1.
What are the key properties of N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide?
N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 51696070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).