N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride

C18H29ClN2O3 — CID 119606964

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
SMILESC/C=C/c1ccc(OCC(=O)NC(C)(CN)C(C)C)c(OC)c1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-6-7-14-8-9-15(16(10-14)22-5)23-11-17(21)20-18(4,12-19)13(2)3;/h6-10,13H,11-12,19H2,1-5H3,(H,20,21);1H/b7-6+;
InChIKeyRUGBTBJFCUXAOR-UHDJGPCESA-N
MW356.89 g/mol
LogP3.02
Rot. Bonds8

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride (PubChem CID 119606964) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
PubChem CID119606964
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
SMILESC/C=C/c1ccc(OCC(=O)NC(C)(CN)C(C)C)c(OC)c1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-6-7-14-8-9-15(16(10-14)22-5)23-11-17(21)20-18(4,12-19)13(2)3;/h6-10,13H,11-12,19H2,1-5H3,(H,20,21);1H/b7-6+;
InChIKeyRUGBTBJFCUXAOR-UHDJGPCESA-N
XLogP3.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride with MolForge

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 78857545
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
CID 120650568
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527680
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 112792814
(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide
CID 8751619
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
2-[4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253969
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119605461

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride (CID 119606964) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride is C/C=C/c1ccc(OCC(=O)NC(C)(CN)C(C)C)c(OC)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride?
The InChIKey is RUGBTBJFCUXAOR-UHDJGPCESA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-6-7-14-8-9-15(16(10-14)22-5)23-11-17(21)20-18(4,12-19)13(2)3;/h6-10,13H,11-12,19H2,1-5H3,(H,20,21);1H/b7-6+;.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119606964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).