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

C14H22N2O3 — CID 112689424

IUPACtert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
SMILESCOc1ccc(NCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-10-9-15-11-5-7-12(18-4)8-6-11/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyYVMHFKVRVXOTCZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.63
Rot. Bonds5

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

tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate (PubChem CID 112689424) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
PubChem CID112689424
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
SMILESCOc1ccc(NCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-10-9-15-11-5-7-12(18-4)8-6-11/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyYVMHFKVRVXOTCZ-UHFFFAOYSA-N
XLogP2.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
CID 115671145
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
CID 115628869
tert-butyl N-[2-(4-bromoanilino)ethyl]carbamate
CID 69234723
tert-butyl N-[2-[4-(cyanomethoxy)anilino]ethyl]carbamate
CID 115628902
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
CID 115743334
N-[2-(4-methoxyanilino)ethyl]propanamide
CID 12709131
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
tert-butyl N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]carbamate
CID 165340759
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
tert-butyl N-[3-[4-(2-methoxyethoxy)anilino]propyl]carbamate
CID 103821818
tert-butyl N-[2-(2-bromo-5-methoxyanilino)ethyl]carbamate
CID 115877169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate (CID 112689424) is tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate is COc1ccc(NCCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate?
The InChIKey is YVMHFKVRVXOTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-10-9-15-11-5-7-12(18-4)8-6-11/h5-8,15H,9-10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate?
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate is sourced from PubChem (CID 112689424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).