benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate

C22H21NO3 — CID 140987113

IUPACbenzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate
SMILESO=C(OCc1ccccc1)C(NCc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H21NO3/c24-20-13-11-19(12-14-20)21(23-15-17-7-3-1-4-8-17)22(25)26-16-18-9-5-2-6-10-18/h1-14,21,23-24H,15-16H2
InChIKeyRTGTZUZPHDHNPS-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.97
Rot. Bonds7

About benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate

benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate (PubChem CID 140987113) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namebenzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate
PubChem CID140987113
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Namebenzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate
SMILESO=C(OCc1ccccc1)C(NCc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H21NO3/c24-20-13-11-19(12-14-20)21(23-15-17-7-3-1-4-8-17)22(25)26-16-18-9-5-2-6-10-18/h1-14,21,23-24H,15-16H2
InChIKeyRTGTZUZPHDHNPS-UHFFFAOYSA-N
XLogP3.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
benzyl 2,2-bis(4-hydroxyphenyl)acetate;phenol
CID 160633420
benzyl (2S)-2-(benzylamino)butanoate
CID 59758756
2-(benzylamino)-3-oxo-3-phenylmethoxypropanoic acid
CID 22016839
benzyl (2S)-2-(benzylamino)propanoate
CID 15488196
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
benzyl 2-(methoxyamino)-2-phenylacetate
CID 139697903
benzyl (3R)-3-(benzylamino)-3-phenylpropanoate
CID 101135571
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate?
The IUPAC name of benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate (CID 140987113) is benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate is O=C(OCc1ccccc1)C(NCc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate?
The InChIKey is RTGTZUZPHDHNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c24-20-13-11-19(12-14-20)21(23-15-17-7-3-1-4-8-17)22(25)26-16-18-9-5-2-6-10-18/h1-14,21,23-24H,15-16H2.
What are the key properties of benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate?
benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate has a molecular weight of 347.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(benzylamino)-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 140987113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).