(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide

C16H24N2O2 — CID 102861710

IUPAC(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C16H24N2O2/c17-15(12-13-6-2-1-3-7-13)16(20)18(10-5-11-19)14-8-4-9-14/h1-3,6-7,14-15,19H,4-5,8-12,17H2/t15-/m0/s1
InChIKeyIHGAKEBAWGUBFE-HNNXBMFYSA-N
MW276.38 g/mol
LogP1.32
Rot. Bonds7

About (2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide

(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide (PubChem CID 102861710) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide
PubChem CID102861710
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C16H24N2O2/c17-15(12-13-6-2-1-3-7-13)16(20)18(10-5-11-19)14-8-4-9-14/h1-3,6-7,14-15,19H,4-5,8-12,17H2/t15-/m0/s1
InChIKeyIHGAKEBAWGUBFE-HNNXBMFYSA-N
XLogP1.32
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 78985362
N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
CID 107036755
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861821
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
CID 56831881
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 102978246
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861176
(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
CID 61165075
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
CID 61164393
4-hydroxybutyl (2S)-2-amino-3-phenylpropanoate
CID 3035673
cyclobutyl (2R)-2-amino-3-phenylpropanoate
CID 104902268
N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
CID 103514023
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980750

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide (CID 102861710) is (2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)N(CCCO)C1CCC1.
What is the InChIKey of (2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide?
The InChIKey is IHGAKEBAWGUBFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-15(12-13-6-2-1-3-7-13)16(20)18(10-5-11-19)14-8-4-9-14/h1-3,6-7,14-15,19H,4-5,8-12,17H2/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide?
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 102861710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).