(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide

C14H22N2O2 — CID 119298276

IUPAC(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
SMILESC[C@H](N)C(=O)NCCCOCCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(15)14(17)16-9-5-10-18-11-8-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyBSYXBIJVOWKYSJ-LBPRGKRZSA-N
MW250.34 g/mol
LogP1.10
Rot. Bonds8

About (2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide

(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide (PubChem CID 119298276) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
PubChem CID119298276
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
SMILESC[C@H](N)C(=O)NCCCOCCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(15)14(17)16-9-5-10-18-11-8-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyBSYXBIJVOWKYSJ-LBPRGKRZSA-N
XLogP1.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711
(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide
CID 119293937
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide
CID 124830596
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309731
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
2,3-dimethyl-4-oxo-4-(3-phenylmethoxypropylamino)butanoic acid
CID 103496536
2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119944824

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide (CID 119298276) is (2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide is C[C@H](N)C(=O)NCCCOCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide?
The InChIKey is BSYXBIJVOWKYSJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(15)14(17)16-9-5-10-18-11-8-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,15H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide?
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide is sourced from PubChem (CID 119298276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).