tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate

C16H26N2O2 — CID 103387276

IUPACtert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
SMILESCc1cc(C)cc(NC(C)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11-7-12(2)9-14(8-11)18-13(3)10-17-15(19)20-16(4,5)6/h7-9,13,18H,10H2,1-6H3,(H,17,19)
InChIKeySGFHKIKPFQONMY-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.63
Rot. Bonds4

About tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate

tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate (PubChem CID 103387276) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
PubChem CID103387276
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
SMILESCc1cc(C)cc(NC(C)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11-7-12(2)9-14(8-11)18-13(3)10-17-15(19)20-16(4,5)6/h7-9,13,18H,10H2,1-6H3,(H,17,19)
InChIKeySGFHKIKPFQONMY-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3-bromo-4-methylanilino)propyl]carbamate
CID 103389943
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
tert-butyl N-[2-[3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387055
tert-butyl N-[2-[4-(ethylcarbamoyl)anilino]propyl]carbamate
CID 103388662
tert-butyl N-[3-amino-2-(3-fluoro-5-methylanilino)-3-oxopropyl]carbamate
CID 102730795
tert-butyl N-[2-[3-(methylcarbamoyl)anilino]propyl]carbamate
CID 103387419
tert-butyl N-[2-(2,4,6-trichloroanilino)propyl]carbamate
CID 103387727
tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
CID 103387299
tert-butyl N-[2-[4-(2-cyanopropan-2-yl)anilino]propyl]carbamate
CID 103387974
tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387744
tert-butyl N-[2-[3-[(dimethylamino)methyl]anilino]propyl]carbamate
CID 103388229
tert-butyl N-[2-(3-pyrrol-1-ylanilino)propyl]carbamate
CID 103388732

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate (CID 103387276) is tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate is Cc1cc(C)cc(NC(C)CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate?
The InChIKey is SGFHKIKPFQONMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-7-12(2)9-14(8-11)18-13(3)10-17-15(19)20-16(4,5)6/h7-9,13,18H,10H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate?
tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate is sourced from PubChem (CID 103387276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).