tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate

C15H22N2O5 — CID 67067315

IUPACtert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate
SMILESCOc1ccc(C(OC)C(=O)NNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-16-13(18)12(21-5)10-6-8-11(20-4)9-7-10/h6-9,12H,1-5H3,(H,16,18)(H,17,19)
InChIKeyMEQLJUWZFVUCEM-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.94
Rot. Bonds4

About tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate

tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate (PubChem CID 67067315) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate
PubChem CID67067315
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nametert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate
SMILESCOc1ccc(C(OC)C(=O)NNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-16-13(18)12(21-5)10-6-8-11(20-4)9-7-10/h6-9,12H,1-5H3,(H,16,18)(H,17,19)
InChIKeyMEQLJUWZFVUCEM-UHFFFAOYSA-N
XLogP1.94
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-2-(4-methoxyphenyl)acetohydrazide;hydrochloride
CID 67067342
tert-butyl N-[[(2S)-2-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]carbamate
CID 100651422
(2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 14110515
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138474448
tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate
CID 2343760
tert-butyl N-[2-(4-methoxyphenyl)-3-oxopropyl]carbamate
CID 84730391
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
tert-butyl N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate
CID 10287389
tert-butyl N-[(R)-(5-methoxyfuran-2-yl)-(4-methoxyphenyl)methyl]carbamate
CID 101352736

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate (CID 67067315) is tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate is COc1ccc(C(OC)C(=O)NNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate?
The InChIKey is MEQLJUWZFVUCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-16-13(18)12(21-5)10-6-8-11(20-4)9-7-10/h6-9,12H,1-5H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate?
tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate has a molecular weight of 310.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate is sourced from PubChem (CID 67067315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).