(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride

C16H24ClN3O3 — CID 119288036

IUPAC(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1ccc(OCC(=O)NC2CC2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-10(17)16(21)18-11(2)12-3-7-14(8-4-12)22-9-15(20)19-13-5-6-13;/h3-4,7-8,10-11,13H,5-6,9,17H2,1-2H3,(H,18,21)(H,19,20);1H/t10-,11?;/m1./s1
InChIKeyIEEFAOAXSCZEFX-QUUNXCOLSA-N
MW341.84 g/mol
LogP1.29
Rot. Bonds7

About (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride (PubChem CID 119288036) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
PubChem CID119288036
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](C)N)c1ccc(OCC(=O)NC2CC2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-10(17)16(21)18-11(2)12-3-7-14(8-4-12)22-9-15(20)19-13-5-6-13;/h3-4,7-8,10-11,13H,5-6,9,17H2,1-2H3,(H,18,21)(H,19,20);1H/t10-,11?;/m1./s1
InChIKeyIEEFAOAXSCZEFX-QUUNXCOLSA-N
XLogP1.29
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride with MolForge

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Related Compounds

2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide
CID 119720950
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119720937
5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide
CID 120622061
2-(aminomethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 119720936
2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622062
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622064
(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide
CID 119311259
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 112843376
1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide
CID 112836167
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride (CID 119288036) is (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride is CC(NC(=O)[C@@H](C)N)c1ccc(OCC(=O)NC2CC2)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride?
The InChIKey is IEEFAOAXSCZEFX-QUUNXCOLSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-10(17)16(21)18-11(2)12-3-7-14(8-4-12)22-9-15(20)19-13-5-6-13;/h3-4,7-8,10-11,13H,5-6,9,17H2,1-2H3,(H,18,21)(H,19,20);1H/t10-,11?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119288036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).