2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide

C14H20N2O2 — CID 111858641

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)CC(O)C1CC1
InChIInChI=1S/C14H20N2O2/c1-16(9-13(17)11-7-8-11)10-14(18)15-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10H2,1H3,(H,15,18)
InChIKeyLBXOVLDEVMLURO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds6

About 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide

2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide (PubChem CID 111858641) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide
PubChem CID111858641
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)CC(O)C1CC1
InChIInChI=1S/C14H20N2O2/c1-16(9-13(17)11-7-8-11)10-14(18)15-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10H2,1H3,(H,15,18)
InChIKeyLBXOVLDEVMLURO-UHFFFAOYSA-N
XLogP1.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858986
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 111858807
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-phenylacetamide
CID 62016324
benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate
CID 111858639
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid
CID 122120087
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 111858744
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111858654
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
1-cyclopropyl-2-[methyl(2-phenylethyl)amino]ethanol
CID 65486700
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-phenylacetamide
CID 110888444
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide (CID 111858641) is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide is CN(CC(=O)Nc1ccccc1)CC(O)C1CC1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide?
The InChIKey is LBXOVLDEVMLURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(9-13(17)11-7-8-11)10-14(18)15-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10H2,1H3,(H,15,18).
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide?
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide is sourced from PubChem (CID 111858641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).