tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate

C16H24N2O4 — CID 129055492

IUPACtert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate
SMILESCCN(NC(=O)OC(C)(C)C)C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H24N2O4/c1-6-18(17-15(20)22-16(2,3)4)14(19)11-12-8-7-9-13(10-12)21-5/h7-10H,6,11H2,1-5H3,(H,17,20)
InChIKeyHLVYAUNWNYTQEK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.53
Rot. Bonds4

About tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate

tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate (PubChem CID 129055492) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate
PubChem CID129055492
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate
SMILESCCN(NC(=O)OC(C)(C)C)C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H24N2O4/c1-6-18(17-15(20)22-16(2,3)4)14(19)11-12-8-7-9-13(10-12)21-5/h7-10H,6,11H2,1-5H3,(H,17,20)
InChIKeyHLVYAUNWNYTQEK-UHFFFAOYSA-N
XLogP2.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate?
The IUPAC name of tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate (CID 129055492) is tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate is CCN(NC(=O)OC(C)(C)C)C(=O)Cc1cccc(OC)c1.
What is the InChIKey of tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate?
The InChIKey is HLVYAUNWNYTQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-6-18(17-15(20)22-16(2,3)4)14(19)11-12-8-7-9-13(10-12)21-5/h7-10H,6,11H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate?
tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]carbamate is sourced from PubChem (CID 129055492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).