(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide

C13H20N2O3 — CID 61275037

IUPAC(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCOCCO
InChIInChI=1S/C13H20N2O3/c14-12(10-11-4-2-1-3-5-11)13(17)15-6-8-18-9-7-16/h1-5,12,16H,6-10,14H2,(H,15,17)/t12-/m0/s1
InChIKeyBPEFDBYERKOJOL-LBPRGKRZSA-N
MW252.31 g/mol
LogP-0.32
Rot. Bonds8

About (2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide (PubChem CID 61275037) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
PubChem CID61275037
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCOCCO
InChIInChI=1S/C13H20N2O3/c14-12(10-11-4-2-1-3-5-11)13(17)15-6-8-18-9-7-16/h1-5,12,16H,6-10,14H2,(H,15,17)/t12-/m0/s1
InChIKeyBPEFDBYERKOJOL-LBPRGKRZSA-N
XLogP-0.32
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904975
(2R)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
CID 106236520
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
CID 106236678
(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
CID 106398265
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide (CID 61275037) is (2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCCOCCO.
What is the InChIKey of (2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide?
The InChIKey is BPEFDBYERKOJOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-12(10-11-4-2-1-3-5-11)13(17)15-6-8-18-9-7-16/h1-5,12,16H,6-10,14H2,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide has a molecular weight of 252.31 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 61275037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).