tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate

C14H20N2O4 — CID 178112451

IUPACtert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate
SMILESCOc1ccccc1C(=O)N(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-16(4)12(17)10-8-6-7-9-11(10)19-5/h6-9H,1-5H3,(H,15,18)
InChIKeyWMOADTQDYZQEKX-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.21
Rot. Bonds2

About tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate

tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate (PubChem CID 178112451) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate
PubChem CID178112451
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate
SMILESCOc1ccccc1C(=O)N(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-16(4)12(17)10-8-6-7-9-11(10)19-5/h6-9H,1-5H3,(H,15,18)
InChIKeyWMOADTQDYZQEKX-UHFFFAOYSA-N
XLogP2.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[(2-methoxybenzoyl)-methylamino]-2-methylpropan-2-yl]carbamate
CID 110669082
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076
N'-acetyl-N-tert-butyl-2-methoxybenzohydrazide
CID 67921811
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl (E)-4-(2-methoxyphenyl)-4-oxobut-2-enoate
CID 155562899
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate
CID 71875972
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
N'-[(E)-but-2-enoyl]-N-tert-butyl-2-methoxybenzohydrazide
CID 67922068
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate?
The IUPAC name of tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate (CID 178112451) is tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate?
The canonical SMILES for tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate is COc1ccccc1C(=O)N(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate?
The InChIKey is WMOADTQDYZQEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-16(4)12(17)10-8-6-7-9-11(10)19-5/h6-9H,1-5H3,(H,15,18).
What are the key properties of tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate?
tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate has a molecular weight of 280.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methoxybenzoyl)-methylamino]carbamate is sourced from PubChem (CID 178112451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).