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

C13H21ClN2O3 — CID 119302241

IUPAC(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
SMILESCOCCCOc1ccccc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-10(14)13(16)15-11-6-3-4-7-12(11)18-9-5-8-17-2;/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16);1H/t10-;/m0./s1
InChIKeyGWHCBKKQVKXEJX-PPHPATTJSA-N
MW288.77 g/mol
LogP1.81
Rot. Bonds7

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

(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride (PubChem CID 119302241) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
PubChem CID119302241
Molecular FormulaC13H21ClN2O3
Molecular Weight288.77 g/mol
Exact Mass288.12
IUPAC Name(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
SMILESCOCCCOc1ccccc1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-10(14)13(16)15-11-6-3-4-7-12(11)18-9-5-8-17-2;/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16);1H/t10-;/m0./s1
InChIKeyGWHCBKKQVKXEJX-PPHPATTJSA-N
XLogP1.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 51.81
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

(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119341255
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94550940
2-amino-3-methoxy-N-(2-propan-2-yloxyphenyl)propanamide
CID 81083212
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride (CID 119302241) is (2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride is COCCCOc1ccccc1NC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride?
The InChIKey is GWHCBKKQVKXEJX-PPHPATTJSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-10(14)13(16)15-11-6-3-4-7-12(11)18-9-5-8-17-2;/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride has a molecular weight of 288.77 g/mol, XLogP of 1.81, 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-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119302241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).