2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide

C14H20N2O2 — CID 63297211

IUPAC2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCC(O)C1CC1
InChIInChI=1S/C14H20N2O2/c15-12(8-10-4-2-1-3-5-10)14(18)16-9-13(17)11-6-7-11/h1-5,11-13,17H,6-9,15H2,(H,16,18)
InChIKeySKZCMMIWIJWBLR-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.44
Rot. Bonds6

About 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide

2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide (PubChem CID 63297211) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
PubChem CID63297211
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCC(O)C1CC1
InChIInChI=1S/C14H20N2O2/c15-12(8-10-4-2-1-3-5-10)14(18)16-9-13(17)11-6-7-11/h1-5,11-13,17H,6-9,15H2,(H,16,18)
InChIKeySKZCMMIWIJWBLR-UHFFFAOYSA-N
XLogP0.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
CID 61248190
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
CID 119277305
(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide
CID 103796488
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103795784
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide (CID 63297211) is 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NCC(O)C1CC1.
What is the InChIKey of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide?
The InChIKey is SKZCMMIWIJWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12(8-10-4-2-1-3-5-10)14(18)16-9-13(17)11-6-7-11/h1-5,11-13,17H,6-9,15H2,(H,16,18).
What are the key properties of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide?
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 63297211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).