(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride

C13H20Cl2N2O3 — CID 119302408

IUPAC(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
SMILESCCOCCOc1c(Cl)cccc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C13H19ClN2O3.ClH/c1-3-18-7-8-19-12-10(14)5-4-6-11(12)16-13(17)9(2)15;/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17);1H/t9-;/m0./s1
InChIKeyHSDFZXFFDOFIKV-FVGYRXGTSA-N
MW323.22 g/mol
LogP2.46
Rot. Bonds7

About (2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119302408) has the molecular formula C13H20Cl2N2O3 and a molecular weight of 323.22 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
PubChem CID119302408
Molecular FormulaC13H20Cl2N2O3
Molecular Weight323.22 g/mol
Exact Mass322.09
IUPAC Name(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
SMILESCCOCCOc1c(Cl)cccc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C13H19ClN2O3.ClH/c1-3-18-7-8-19-12-10(14)5-4-6-11(12)16-13(17)9(2)15;/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17);1H/t9-;/m0./s1
InChIKeyHSDFZXFFDOFIKV-FVGYRXGTSA-N
XLogP2.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302410
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(4-chlorophenyl)ethyl]urea
CID 60600676
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
CID 56821996
2-(4-aminophenyl)-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119747202
3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119753562
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975465
4-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078222
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119747231
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60600233
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride (CID 119302408) is (2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride is CCOCCOc1c(Cl)cccc1NC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is HSDFZXFFDOFIKV-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H19ClN2O3.ClH/c1-3-18-7-8-19-12-10(14)5-4-6-11(12)16-13(17)9(2)15;/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 323.22 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119302408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).