tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate

C15H24N2O3 — CID 117450332

IUPACtert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate
SMILESCOc1ccc(CCCN)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-12-10-11(6-5-9-16)7-8-13(12)19-4/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeyCCFIDHXNPDCQSS-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.93
Rot. Bonds5

About tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate

tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate (PubChem CID 117450332) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate
PubChem CID117450332
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate
SMILESCOc1ccc(CCCN)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-12-10-11(6-5-9-16)7-8-13(12)19-4/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeyCCFIDHXNPDCQSS-UHFFFAOYSA-N
XLogP2.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-(2-aminoethyl)-2-methoxyphenyl]carbamate
CID 117420116
tert-butyl N-[2-methoxy-5-(3-oxopropyl)phenyl]carbamate
CID 117447984
tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-[5-(4-aminobutyl)-2-fluorophenyl]carbamate
CID 117453895
2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117451386
tert-butyl N-[5-(cyanomethyl)-2-methoxyphenyl]carbamate
CID 117410427
tert-butyl N-[4-(3-hydroxypropyl)-2-methoxyphenyl]carbamate
CID 117451587
tert-butyl N-[5-(isocyanatomethyl)-2-methoxyphenyl]carbamate
CID 117445984
tert-butyl N-[5-[[(2-chloroacetyl)amino]methyl]-2-methoxyphenyl]carbamate
CID 166419727
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
CID 117446430
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate (CID 117450332) is tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate is COc1ccc(CCCN)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate?
The InChIKey is CCFIDHXNPDCQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)17-12-10-11(6-5-9-16)7-8-13(12)19-4/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate?
tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate is sourced from PubChem (CID 117450332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).