tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate

C20H33N3O2 — CID 113256335

IUPACtert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
SMILESCCN(CC)Cc1cccc(NC2CC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C20H33N3O2/c1-6-23(7-2)14-15-9-8-10-16(11-15)21-17-12-18(13-17)22-19(24)25-20(3,4)5/h8-11,17-18,21H,6-7,12-14H2,1-5H3,(H,22,24)
InChIKeyOTHTZWJVXXJQCL-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.00
Rot. Bonds7

About tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate

tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate (PubChem CID 113256335) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
PubChem CID113256335
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Nametert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
SMILESCCN(CC)Cc1cccc(NC2CC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C20H33N3O2/c1-6-23(7-2)14-15-9-8-10-16(11-15)21-17-12-18(13-17)22-19(24)25-20(3,4)5/h8-11,17-18,21H,6-7,12-14H2,1-5H3,(H,22,24)
InChIKeyOTHTZWJVXXJQCL-UHFFFAOYSA-N
XLogP4.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103715367
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tert-butyl N-ethyl-N-[[3-(oxetan-3-ylamino)phenyl]methyl]carbamate
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3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline
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tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
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tert-butyl N-[[3-(azetidin-3-ylamino)phenyl]methyl]-N-ethylcarbamate
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tert-butyl 4-[3-[[ethyl(methyl)amino]methyl]anilino]piperidine-1-carboxylate;ethane
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tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
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tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
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tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate (CID 113256335) is tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate is CCN(CC)Cc1cccc(NC2CC(NC(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate?
The InChIKey is OTHTZWJVXXJQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-6-23(7-2)14-15-9-8-10-16(11-15)21-17-12-18(13-17)22-19(24)25-20(3,4)5/h8-11,17-18,21H,6-7,12-14H2,1-5H3,(H,22,24).
What are the key properties of tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate?
tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate has a molecular weight of 347.50 g/mol, XLogP of 4.00, 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-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate is sourced from PubChem (CID 113256335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).