2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride

C21H28ClN3O4 — CID 119739656

IUPAC2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1.Cl
InChIInChI=1S/C21H27N3O4.ClH/c1-4-12-21(2,22)20(26)24-16-9-7-8-15(13-16)23-19(25)14-28-18-11-6-5-10-17(18)27-3;/h5-11,13H,4,12,14,22H2,1-3H3,(H,23,25)(H,24,26);1H
InChIKeyQMFBTRTZYPEOGN-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.59
Rot. Bonds9

About 2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride

2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride (PubChem CID 119739656) has the molecular formula C21H28ClN3O4 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride
PubChem CID119739656
Molecular FormulaC21H28ClN3O4
Molecular Weight421.93 g/mol
Exact Mass421.18
IUPAC Name2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1.Cl
InChIInChI=1S/C21H27N3O4.ClH/c1-4-12-21(2,22)20(26)24-16-9-7-8-15(13-16)23-19(25)14-28-18-11-6-5-10-17(18)27-3;/h5-11,13H,4,12,14,22H2,1-3H3,(H,23,25)(H,24,26);1H
InChIKeyQMFBTRTZYPEOGN-UHFFFAOYSA-N
XLogP3.59
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-2-methylpentanamide
CID 119751481
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
CID 19165843
1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119298259
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride
CID 119885880
4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide
CID 55865042
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 9321704
N-(2-tert-butyl-4-pyridinyl)-2-(2-methoxyphenoxy)acetamide
CID 110443287
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079559
N-tert-butyl-3,5-bis[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 2901481

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride (CID 119739656) is 2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1cccc(NC(=O)COc2ccccc2OC)c1.Cl.
What is the InChIKey of 2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride?
The InChIKey is QMFBTRTZYPEOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4.ClH/c1-4-12-21(2,22)20(26)24-16-9-7-8-15(13-16)23-19(25)14-28-18-11-6-5-10-17(18)27-3;/h5-11,13H,4,12,14,22H2,1-3H3,(H,23,25)(H,24,26);1H.
What are the key properties of 2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride has a molecular weight of 421.93 g/mol, XLogP of 3.59, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119739656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).