tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate

C29H37N3O3S — CID 168958890

IUPACtert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate
SMILESCCn1c2ccc(CNCCOCCNC(=O)OC(C)(C)C)cc2c2ccc(-c3cc(C)cs3)cc21
InChIInChI=1S/C29H37N3O3S/c1-6-32-25-10-7-21(18-30-11-13-34-14-12-31-28(33)35-29(3,4)5)16-24(25)23-9-8-22(17-26(23)32)27-15-20(2)19-36-27/h7-10,15-17,19,30H,6,11-14,18H2,1-5H3,(H,31,33)
InChIKeyQFODYRQFOBLPSR-UHFFFAOYSA-N
MW507.70 g/mol
LogP6.48
Rot. Bonds10

About tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate (PubChem CID 168958890) has the molecular formula C29H37N3O3S and a molecular weight of 507.70 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate
PubChem CID168958890
Molecular FormulaC29H37N3O3S
Molecular Weight507.70 g/mol
Exact Mass507.26
IUPAC Nametert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate
SMILESCCn1c2ccc(CNCCOCCNC(=O)OC(C)(C)C)cc2c2ccc(-c3cc(C)cs3)cc21
InChIInChI=1S/C29H37N3O3S/c1-6-32-25-10-7-21(18-30-11-13-34-14-12-31-28(33)35-29(3,4)5)16-24(25)23-9-8-22(17-26(23)32)27-15-20(2)19-36-27/h7-10,15-17,19,30H,6,11-14,18H2,1-5H3,(H,31,33)
InChIKeyQFODYRQFOBLPSR-UHFFFAOYSA-N
XLogP6.48
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.70
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[(9-ethyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 171639290
1-[6-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 178034712
tert-butyl N-[[9-ethyl-7-[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]carbazol-3-yl]methyl]-N-methylcarbamate
CID 168959953
tert-butyl N-[[4-[(2-ethoxyethylamino)methyl]phenyl]methyl]carbamate
CID 143202067
tert-butyl N-[3-[3-[9-ethyl-6-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbazol-3-yl]phenyl]propyl]carbamate
CID 59268479
tert-butyl N-[2-[2-[2-[2-[[1-[(4-chlorophenyl)methyl]-6-fluoroindol-4-yl]methylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 176845601
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
N-[2-[4-[2-(butylamino)propylamino]phenyl]ethyl]-1-[2-[2-[2-[3-[5-[9-ethyl-6-(methylaminomethyl)carbazol-2-yl]thiophen-3-yl]prop-2-ynoylamino]ethoxy]ethylamino]-2-oxoethyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 168958880
tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
CID 90220378
tert-butyl N-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate
CID 138393879
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 103778467

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate (CID 168958890) is tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate is CCn1c2ccc(CNCCOCCNC(=O)OC(C)(C)C)cc2c2ccc(-c3cc(C)cs3)cc21.
What is the InChIKey of tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate?
The InChIKey is QFODYRQFOBLPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3S/c1-6-32-25-10-7-21(18-30-11-13-34-14-12-31-28(33)35-29(3,4)5)16-24(25)23-9-8-22(17-26(23)32)27-15-20(2)19-36-27/h7-10,15-17,19,30H,6,11-14,18H2,1-5H3,(H,31,33).
What are the key properties of tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate has a molecular weight of 507.70 g/mol, XLogP of 6.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methylamino]ethoxy]ethyl]carbamate is sourced from PubChem (CID 168958890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).