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

C15H25N3O2 — CID 115743334

IUPACtert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
SMILESCN(C)c1ccc(NCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-11-10-16-12-6-8-13(9-7-12)18(4)5/h6-9,16H,10-11H2,1-5H3,(H,17,19)
InChIKeyGMADDIMGIMFEPE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.69
Rot. Bonds5

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

tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate (PubChem CID 115743334) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
PubChem CID115743334
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
SMILESCN(C)c1ccc(NCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-11-10-16-12-6-8-13(9-7-12)18(4)5/h6-9,16H,10-11H2,1-5H3,(H,17,19)
InChIKeyGMADDIMGIMFEPE-UHFFFAOYSA-N
XLogP2.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
CID 115628869
tert-butyl N-[2-(4-bromoanilino)ethyl]carbamate
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tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl 2-[4-(dimethylamino)anilino]acetate
CID 19001978
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
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tert-butyl N-[3-[4-[[4-(dimethylamino)benzoyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919913
tert-butyl N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]carbamate
CID 90552009
tert-butyl N-[3-[4-(dimethylamino)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170832177
tert-butyl N-[2-[4-(4-aminobutyl)anilino]ethyl]carbamate
CID 58664817
tert-butyl N-[3-[1-[4-(dimethylamino)phenyl]ethylamino]propyl]carbamate
CID 103781090
tert-butyl N-[2-[(6-bromo-3-pyridinyl)amino]ethyl]carbamate
CID 103949623

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate (CID 115743334) is tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate is CN(C)c1ccc(NCCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate?
The InChIKey is GMADDIMGIMFEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-11-10-16-12-6-8-13(9-7-12)18(4)5/h6-9,16H,10-11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate?
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 2.69, 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-(dimethylamino)anilino]ethyl]carbamate is sourced from PubChem (CID 115743334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).