tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate

C17H28N2O2 — CID 107248074

IUPACtert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate
SMILESCc1ccc(CNC(C)CNC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C17H28N2O2/c1-12-7-8-15(13(2)9-12)11-18-14(3)10-19-16(20)21-17(4,5)6/h7-9,14,18H,10-11H2,1-6H3,(H,19,20)
InChIKeyUSFFRSVAAHBEDC-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.31
Rot. Bonds5

About tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate

tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate (PubChem CID 107248074) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate
PubChem CID107248074
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate
SMILESCc1ccc(CNC(C)CNC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C17H28N2O2/c1-12-7-8-15(13(2)9-12)11-18-14(3)10-19-16(20)21-17(4,5)6/h7-9,14,18H,10-11H2,1-6H3,(H,19,20)
InChIKeyUSFFRSVAAHBEDC-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(3-chloro-4-methylphenyl)methylamino]propyl]carbamate
CID 107248269
tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
CID 103389782
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
3-[(2,4-dimethylphenyl)methylamino]butanamide
CID 115676436
tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
tert-butyl N-[2-[(3-chloro-2-hydroxyphenyl)methylamino]propyl]carbamate
CID 107248591
tert-butyl N-[2-[(2-cyanophenyl)methylamino]propyl]carbamate
CID 107936041
tert-butyl N-[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]carbamate
CID 103389676
tert-butyl N-[3-[[N-[(2,4-dimethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886390
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 103387484

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate (CID 107248074) is tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate is Cc1ccc(CNC(C)CNC(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate?
The InChIKey is USFFRSVAAHBEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-7-8-15(13(2)9-12)11-18-14(3)10-19-16(20)21-17(4,5)6/h7-9,14,18H,10-11H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate?
tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate is sourced from PubChem (CID 107248074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).