tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate

C18H30N2O2 — CID 102569860

IUPACtert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate
SMILESCCCNc1cc(C(C)N(C)C(=O)OC(C)(C)C)ccc1C
InChIInChI=1S/C18H30N2O2/c1-8-11-19-16-12-15(10-9-13(16)2)14(3)20(7)17(21)22-18(4,5)6/h9-10,12,14,19H,8,11H2,1-7H3
InChIKeyDZKLOFZAWFGPMP-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.74
Rot. Bonds5

About tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate

tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate (PubChem CID 102569860) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate
PubChem CID102569860
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate
SMILESCCCNc1cc(C(C)N(C)C(=O)OC(C)(C)C)ccc1C
InChIInChI=1S/C18H30N2O2/c1-8-11-19-16-12-15(10-9-13(16)2)14(3)20(7)17(21)22-18(4,5)6/h9-10,12,14,19H,8,11H2,1-7H3
InChIKeyDZKLOFZAWFGPMP-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-butyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate
CID 102569878
tert-butyl N-butyl-N-[1-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl]carbamate
CID 102569881
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
tert-butyl N-[(1S)-1-(4-ethenylphenyl)ethyl]-N-methylcarbamate
CID 143714683
3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-methyl-N-[1-[4-[(4-methylphenyl)methoxycarbonylamino]phenyl]ethyl]carbamate
CID 171824486
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N-[5-(3-amino-4-methylphenyl)pent-4-en-2-yl]-N-methylcarbamate
CID 70125787
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate
CID 115113575

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate (CID 102569860) is tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate is CCCNc1cc(C(C)N(C)C(=O)OC(C)(C)C)ccc1C.
What is the InChIKey of tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate?
The InChIKey is DZKLOFZAWFGPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-8-11-19-16-12-15(10-9-13(16)2)14(3)20(7)17(21)22-18(4,5)6/h9-10,12,14,19H,8,11H2,1-7H3.
What are the key properties of tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate?
tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate has a molecular weight of 306.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[4-methyl-3-(propylamino)phenyl]ethyl]carbamate is sourced from PubChem (CID 102569860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).