tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate

C15H22N2O3 — CID 112731305

IUPACtert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
SMILESCNC(=O)c1ccc(CNCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-13(18)10-17-9-11-5-7-12(8-6-11)14(19)16-4/h5-8,17H,9-10H2,1-4H3,(H,16,19)
InChIKeyBNJDOOPXTWVUBI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.48
Rot. Bonds5

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

tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate (PubChem CID 112731305) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
PubChem CID112731305
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
SMILESCNC(=O)c1ccc(CNCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-13(18)10-17-9-11-5-7-12(8-6-11)14(19)16-4/h5-8,17H,9-10H2,1-4H3,(H,16,19)
InChIKeyBNJDOOPXTWVUBI-UHFFFAOYSA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
CID 112731298
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
CID 69158393
tert-butyl 2-[(4-butylphenyl)methylamino]acetate
CID 68600111
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]methylamino]acetate
CID 112725551
tert-butyl 2-[(4-isothiocyanatophenyl)methylamino]acetate
CID 139977488
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
CID 81414423
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 55137911
tert-butyl 2-[[4-(2-methylsulfonyloxyethyl)phenyl]methylamino]acetate
CID 87200033
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 138647840

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate?
The IUPAC name of tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate (CID 112731305) is tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate?
The canonical SMILES for tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate is CNC(=O)c1ccc(CNCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate?
The InChIKey is BNJDOOPXTWVUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-13(18)10-17-9-11-5-7-12(8-6-11)14(19)16-4/h5-8,17H,9-10H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate?
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate has a molecular weight of 278.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate is sourced from PubChem (CID 112731305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).