tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate

C20H25NO3 — CID 54470705

IUPACtert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)24-19(22)14-21-13-16-9-11-18(12-10-16)23-15-17-7-5-4-6-8-17/h4-12,21H,13-15H2,1-3H3
InChIKeyXIDMQWDTWMLYFS-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.70
Rot. Bonds7

About tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate

tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate (PubChem CID 54470705) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
PubChem CID54470705
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nametert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-20(2,3)24-19(22)14-21-13-16-9-11-18(12-10-16)23-15-17-7-5-4-6-8-17/h4-12,21H,13-15H2,1-3H3
InChIKeyXIDMQWDTWMLYFS-UHFFFAOYSA-N
XLogP3.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
CID 112731298
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]methylamino]acetate
CID 112725551
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
CID 176907071
tert-butyl 2-(2-phenoxyethylamino)acetate
CID 60676799
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419
tert-butyl 3-(benzylamino)propanoate
CID 10776134
4-O-tert-butyl 1-O-methyl 2-(4-phenylmethoxyphenyl)butanedioate
CID 131723198
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
tert-butyl 2-[(4-butylphenyl)methylamino]acetate
CID 68600111
tert-butyl 2-[(4-isothiocyanatophenyl)methylamino]acetate
CID 139977488

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate (CID 54470705) is tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate is CC(C)(C)OC(=O)CNCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate?
The InChIKey is XIDMQWDTWMLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-20(2,3)24-19(22)14-21-13-16-9-11-18(12-10-16)23-15-17-7-5-4-6-8-17/h4-12,21H,13-15H2,1-3H3.
What are the key properties of tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate?
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate has a molecular weight of 327.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate is sourced from PubChem (CID 54470705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).