N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide

C20H22N2O3 — CID 86781611

IUPACN-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-22(20(25)18(23)15-5-3-2-4-6-15)13-14-7-9-16(10-8-14)19(24)21-17-11-12-17/h2-10,17-18,23H,11-13H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyLOBXPXJOMPJYEY-GOSISDBHSA-N
MW338.41 g/mol
LogP2.27
Rot. Bonds6

About N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide

N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide (PubChem CID 86781611) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
PubChem CID86781611
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-22(20(25)18(23)15-5-3-2-4-6-15)13-14-7-9-16(10-8-14)19(24)21-17-11-12-17/h2-10,17-18,23H,11-13H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyLOBXPXJOMPJYEY-GOSISDBHSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511124
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
2-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 110879948
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
CID 38398694
4-benzyl-N-cyclopropylbenzamide
CID 45086871
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]-2-phenylacetic acid
CID 120518052
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601242
N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
CID 38043067

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide (CID 86781611) is N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@H](O)c1ccccc1.
What is the InChIKey of N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide?
The InChIKey is LOBXPXJOMPJYEY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22(20(25)18(23)15-5-3-2-4-6-15)13-14-7-9-16(10-8-14)19(24)21-17-11-12-17/h2-10,17-18,23H,11-13H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide?
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 86781611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).