methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride

C19H23ClN2O3 — CID 120668297

IUPACmethyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride
SMILESCOC(=O)CCc1ccc(NC(=O)C(N)c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-13-3-8-15(9-4-13)18(20)19(23)21-16-10-5-14(6-11-16)7-12-17(22)24-2;/h3-6,8-11,18H,7,12,20H2,1-2H3,(H,21,23);1H
InChIKeyBWYUBWJROOHDKF-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.16
Rot. Bonds6

About methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride

methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride (PubChem CID 120668297) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride
PubChem CID120668297
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Namemethyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride
SMILESCOC(=O)CCc1ccc(NC(=O)C(N)c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-13-3-8-15(9-4-13)18(20)19(23)21-16-10-5-14(6-11-16)7-12-17(22)24-2;/h3-6,8-11,18H,7,12,20H2,1-2H3,(H,21,23);1H
InChIKeyBWYUBWJROOHDKF-UHFFFAOYSA-N
XLogP3.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
2-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667262
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
2-amino-2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120667005
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate
CID 91743844
2-amino-N-(6-methoxy-3-pyridinyl)-2-(4-methylphenyl)acetamide
CID 106151757
(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide
CID 67245807
methyl 3-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]propanoate;hydrochloride
CID 22362448
N,3-bis(4-methylphenyl)propanamide
CID 19220434
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 120669658

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride (CID 120668297) is methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride is COC(=O)CCc1ccc(NC(=O)C(N)c2ccc(C)cc2)cc1.Cl.
What is the InChIKey of methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride?
The InChIKey is BWYUBWJROOHDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c1-13-3-8-15(9-4-13)18(20)19(23)21-16-10-5-14(6-11-16)7-12-17(22)24-2;/h3-6,8-11,18H,7,12,20H2,1-2H3,(H,21,23);1H.
What are the key properties of methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride?
methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride is sourced from PubChem (CID 120668297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).