N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride

C17H27ClN2O3 — CID 120650568

IUPACN-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
SMILESC/C=C/c1ccc(OCC(=O)NC[C@@H](C)NCC)c(OC)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-5-7-14-8-9-15(16(10-14)21-4)22-12-17(20)19-11-13(3)18-6-2;/h5,7-10,13,18H,6,11-12H2,1-4H3,(H,19,20);1H/b7-5+;/t13-;/m1./s1
InChIKeyLRQSAKYHOLULEW-OITZQADBSA-N
MW342.87 g/mol
LogP2.64
Rot. Bonds9

About N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride (PubChem CID 120650568) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
PubChem CID120650568
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
SMILESC/C=C/c1ccc(OCC(=O)NC[C@@H](C)NCC)c(OC)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-5-7-14-8-9-15(16(10-14)21-4)22-12-17(20)19-11-13(3)18-6-2;/h5,7-10,13,18H,6,11-12H2,1-4H3,(H,19,20);1H/b7-5+;/t13-;/m1./s1
InChIKeyLRQSAKYHOLULEW-OITZQADBSA-N
XLogP2.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride with MolForge

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Related Compounds

(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide
CID 8751619
N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 78857545
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 55588022
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
CID 119606964
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478784
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 112792814
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride (CID 120650568) is N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride is C/C=C/c1ccc(OCC(=O)NC[C@@H](C)NCC)c(OC)c1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride?
The InChIKey is LRQSAKYHOLULEW-OITZQADBSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-5-7-14-8-9-15(16(10-14)21-4)22-12-17(20)19-11-13(3)18-6-2;/h5,7-10,13,18H,6,11-12H2,1-4H3,(H,19,20);1H/b7-5+;/t13-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 120650568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).