tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate

C18H30N2O3 — CID 103781132

IUPACtert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate
SMILESCOc1cc(C)ccc1C(C)NCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-13-8-9-15(16(12-13)22-6)14(2)19-10-7-11-20-17(21)23-18(3,4)5/h8-9,12,14,19H,7,10-11H2,1-6H3,(H,20,21)
InChIKeyHTNGPKRMODEJGF-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.57
Rot. Bonds7

About tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate

tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate (PubChem CID 103781132) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate
PubChem CID103781132
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate
SMILESCOc1cc(C)ccc1C(C)NCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-13-8-9-15(16(12-13)22-6)14(2)19-10-7-11-20-17(21)23-18(3,4)5/h8-9,12,14,19H,7,10-11H2,1-6H3,(H,20,21)
InChIKeyHTNGPKRMODEJGF-UHFFFAOYSA-N
XLogP3.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate
CID 81463582
tert-butyl N-[2,3-dihydroxy-3-(2-methoxy-4-methylphenyl)propyl]carbamate
CID 170832048
tert-butyl N-[2-[1-(2,4,5-trimethylphenyl)ethylamino]ethyl]carbamate
CID 107241326
tert-butyl N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]propyl]carbamate
CID 103388164
tert-butyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103821967
tert-butyl N-[3-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]carbamate
CID 103781125
1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 113261692
tert-butyl N-[3-[1-(2-methoxyphenyl)propan-2-ylamino]propyl]carbamate
CID 103781077
tert-butyl N-[3-[1-(4-methylphenyl)propylamino]propyl]carbamate
CID 103781079
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
CID 65105446
tert-butyl N-[3-[1-[4-(dimethylamino)phenyl]ethylamino]propyl]carbamate
CID 103781090
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
CID 43781292

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate (CID 103781132) is tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate is COc1cc(C)ccc1C(C)NCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate?
The InChIKey is HTNGPKRMODEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13-8-9-15(16(12-13)22-6)14(2)19-10-7-11-20-17(21)23-18(3,4)5/h8-9,12,14,19H,7,10-11H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate?
tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate is sourced from PubChem (CID 103781132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).