2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride

C14H21ClN2O4 — CID 120990540

IUPAC2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc(OC2CCOC2)cc1.Cl
InChIInChI=1S/C14H20N2O4.ClH/c1-18-9-13(15)14(17)16-10-2-4-11(5-3-10)20-12-6-7-19-8-12;/h2-5,12-13H,6-9,15H2,1H3,(H,16,17);1H
InChIKeyVIJGFGRDSJMOQW-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.19
Rot. Bonds6

About 2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride (PubChem CID 120990540) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride
PubChem CID120990540
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Name2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc(OC2CCOC2)cc1.Cl
InChIInChI=1S/C14H20N2O4.ClH/c1-18-9-13(15)14(17)16-10-2-4-11(5-3-10)20-12-6-7-19-8-12;/h2-5,12-13H,6-9,15H2,1H3,(H,16,17);1H
InChIKeyVIJGFGRDSJMOQW-UHFFFAOYSA-N
XLogP1.19
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-[4-(oxolan-3-yloxy)phenyl]butanamide
CID 119332202
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120986481
2-(cyclopropylmethylamino)-N-[4-(oxolan-3-yloxy)phenyl]acetamide;hydrochloride
CID 119798675
2-amino-3-methoxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 120992488
2-amino-N-(4-cyclopentyloxyphenyl)pentanamide;hydrochloride
CID 119284685
2-amino-N-[4-(oxolan-3-yloxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120593039
(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120794517
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
CID 63557624
(2S,5R)-5-(aminomethyl)-N-[4-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
CID 120794518
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride (CID 120990540) is 2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride is COCC(N)C(=O)Nc1ccc(OC2CCOC2)cc1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride?
The InChIKey is VIJGFGRDSJMOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4.ClH/c1-18-9-13(15)14(17)16-10-2-4-11(5-3-10)20-12-6-7-19-8-12;/h2-5,12-13H,6-9,15H2,1H3,(H,16,17);1H.
What are the key properties of 2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120990540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).