tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate

C18H30N2O3 — CID 73056972

IUPACtert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate
SMILESCOc1ccc([C@@H](C)NCCCN(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O3/c1-14(15-8-10-16(22-6)11-9-15)19-12-7-13-20(5)17(21)23-18(2,3)4/h8-11,14,19H,7,12-13H2,1-6H3/t14-/m1/s1
InChIKeyKCJSCANCASILAZ-CQSZACIVSA-N
MW322.45 g/mol
LogP3.60
Rot. Bonds7

About tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate

tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate (PubChem CID 73056972) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate
PubChem CID73056972
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate
SMILESCOc1ccc([C@@H](C)NCCCN(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O3/c1-14(15-8-10-16(22-6)11-9-15)19-12-7-13-20(5)17(21)23-18(2,3)4/h8-11,14,19H,7,12-13H2,1-6H3/t14-/m1/s1
InChIKeyKCJSCANCASILAZ-CQSZACIVSA-N
XLogP3.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
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 N-methyl-N-[3-(1-pyridin-3-ylethylamino)propyl]carbamate
CID 103894812
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate
CID 103781251
tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]ethyl]-N-methylcarbamate
CID 104582196
tert-butyl N-[3-[1-(2-chlorophenyl)ethylamino]propyl]-N-methylcarbamate
CID 107242245
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
tert-butyl N-[4-(4-methoxyphenyl)-4-oxobutyl]-N-methylcarbamate
CID 138972967
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
CID 103830765
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate (CID 73056972) is tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate is COc1ccc([C@@H](C)NCCCN(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate?
The InChIKey is KCJSCANCASILAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(15-8-10-16(22-6)11-9-15)19-12-7-13-20(5)17(21)23-18(2,3)4/h8-11,14,19H,7,12-13H2,1-6H3/t14-/m1/s1.
What are the key properties of tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate has a molecular weight of 322.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propyl]-N-methylcarbamate is sourced from PubChem (CID 73056972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).