tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate

C15H23N3O3 — CID 115628869

IUPACtert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
SMILESCC(=O)Nc1ccc(NCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-11(19)18-13-7-5-12(6-8-13)16-9-10-17-14(20)21-15(2,3)4/h5-8,16H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyYUNIYAWXDOJYLB-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.58
Rot. Bonds5

About tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate

tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate (PubChem CID 115628869) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
PubChem CID115628869
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
SMILESCC(=O)Nc1ccc(NCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-11(19)18-13-7-5-12(6-8-13)16-9-10-17-14(20)21-15(2,3)4/h5-8,16H,9-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyYUNIYAWXDOJYLB-UHFFFAOYSA-N
XLogP2.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-bromoanilino)ethyl]carbamate
CID 69234723
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
CID 115743334
tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
CID 115671145
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-[2-[4-(4-aminobutyl)anilino]ethyl]carbamate
CID 58664817
tert-butyl N-[2-[(6-bromo-3-pyridinyl)amino]ethyl]carbamate
CID 103949623
tert-butyl N-[2-[4-(cyanomethoxy)anilino]ethyl]carbamate
CID 115628902
tert-butyl N-[2-[[N'-[2-(4-acetamidophenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate
CID 111885151
tert-butyl N-[2-(3-chloro-4-fluoroanilino)ethyl]carbamate
CID 115868886
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate
CID 103818149

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate (CID 115628869) is tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate is CC(=O)Nc1ccc(NCCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate?
The InChIKey is YUNIYAWXDOJYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(19)18-13-7-5-12(6-8-13)16-9-10-17-14(20)21-15(2,3)4/h5-8,16H,9-10H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate?
tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate is sourced from PubChem (CID 115628869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).