tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate

C18H32N2O2S — CID 107242750

IUPACtert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate
SMILESCCc1ccc(C(C)NCCCN(CC)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C18H32N2O2S/c1-7-15-10-11-16(23-15)14(3)19-12-9-13-20(8-2)17(21)22-18(4,5)6/h10-11,14,19H,7-9,12-13H2,1-6H3
InChIKeyLBVYMJSFHAQWFZ-UHFFFAOYSA-N
MW340.53 g/mol
LogP4.61
Rot. Bonds8

About tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate

tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate (PubChem CID 107242750) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate
PubChem CID107242750
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC Nametert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate
SMILESCCc1ccc(C(C)NCCCN(CC)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C18H32N2O2S/c1-7-15-10-11-16(23-15)14(3)19-12-9-13-20(8-2)17(21)22-18(4,5)6/h10-11,14,19H,7-9,12-13H2,1-6H3
InChIKeyLBVYMJSFHAQWFZ-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 54.61
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

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CID 103781324
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CID 107242692
tert-butyl N-ethyl-N-[3-(1-pyridin-2-ylethylamino)propyl]carbamate
CID 103878440
tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103780681
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
tert-butyl N-ethyl-N-[3-(1-ethylsulfonylpropan-2-ylamino)propyl]carbamate
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tert-butyl N-(2-hydroxypropyl)-N-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 107257062
tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690
tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate
CID 107242592
N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
CID 61333178
N-[1-(5-ethylthiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327120
3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide
CID 61333187

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate (CID 107242750) is tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate is CCc1ccc(C(C)NCCCN(CC)C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate?
The InChIKey is LBVYMJSFHAQWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-7-15-10-11-16(23-15)14(3)19-12-9-13-20(8-2)17(21)22-18(4,5)6/h10-11,14,19H,7-9,12-13H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate?
tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate has a molecular weight of 340.53 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]propyl]carbamate is sourced from PubChem (CID 107242750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).