2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride

C17H28ClN3O3 — CID 119740409

IUPAC2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCc1cccc(OCC(=O)NCC)c1.Cl
InChIInChI=1S/C17H27N3O3.ClH/c1-4-9-17(3,18)16(22)20-11-13-7-6-8-14(10-13)23-12-15(21)19-5-2;/h6-8,10H,4-5,9,11-12,18H2,1-3H3,(H,19,21)(H,20,22);1H
InChIKeyKAEKDFHYDGMBNR-UHFFFAOYSA-N
MW357.88 g/mol
LogP1.76
Rot. Bonds9

About 2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride

2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride (PubChem CID 119740409) has the molecular formula C17H28ClN3O3 and a molecular weight of 357.88 g/mol. Its IUPAC name is 2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
PubChem CID119740409
Molecular FormulaC17H28ClN3O3
Molecular Weight357.88 g/mol
Exact Mass357.18
IUPAC Name2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCc1cccc(OCC(=O)NCC)c1.Cl
InChIInChI=1S/C17H27N3O3.ClH/c1-4-9-17(3,18)16(22)20-11-13-7-6-8-14(10-13)23-12-15(21)19-5-2;/h6-8,10H,4-5,9,11-12,18H2,1-3H3,(H,19,21)(H,20,22);1H
InChIKeyKAEKDFHYDGMBNR-UHFFFAOYSA-N
XLogP1.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119775504
1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide;hydrochloride
CID 119731398
(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
CID 119740412
2-amino-2-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]pentanamide
CID 119757053
2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187254
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride (CID 119740409) is 2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCc1cccc(OCC(=O)NCC)c1.Cl.
What is the InChIKey of 2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride?
The InChIKey is KAEKDFHYDGMBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.ClH/c1-4-9-17(3,18)16(22)20-11-13-7-6-8-14(10-13)23-12-15(21)19-5-2;/h6-8,10H,4-5,9,11-12,18H2,1-3H3,(H,19,21)(H,20,22);1H.
What are the key properties of 2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride has a molecular weight of 357.88 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119740409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).