tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate

C18H29N3O2 — CID 103759400

IUPACtert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate
SMILESCc1cc(N(C)C)ccc1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H29N3O2/c1-12-9-15(21(5)6)7-8-16(12)19-13-10-14(11-13)20-17(22)23-18(2,3)4/h7-9,13-14,19H,10-11H2,1-6H3,(H,20,22)
InChIKeyFBSFBHQIUIOVCC-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.53
Rot. Bonds4

About tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate

tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate (PubChem CID 103759400) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate
PubChem CID103759400
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate
SMILESCc1cc(N(C)C)ccc1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H29N3O2/c1-12-9-15(21(5)6)7-8-16(12)19-13-10-14(11-13)20-17(22)23-18(2,3)4/h7-9,13-14,19H,10-11H2,1-6H3,(H,20,22)
InChIKeyFBSFBHQIUIOVCC-UHFFFAOYSA-N
XLogP3.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
methyl 4-methyl-3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]benzoate
CID 113256316
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
CID 103759599
tert-butyl N-[(1R)-3-(2-bromo-4-methylanilino)cyclopentyl]carbamate
CID 129193732
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
tert-butyl N-[3-[4-[cyclohexyl(methyl)carbamoyl]-2-nitroanilino]cyclobutyl]carbamate
CID 126737502
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
CID 80559539
tert-butyl N-[3-(2-fluoro-4-methylanilino)cyclohexyl]carbamate
CID 103720068
tert-butyl N-[3-(2-chloro-5-cyanoanilino)cyclobutyl]carbamate
CID 103759680

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate (CID 103759400) is tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate is Cc1cc(N(C)C)ccc1NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate?
The InChIKey is FBSFBHQIUIOVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-12-9-15(21(5)6)7-8-16(12)19-13-10-14(11-13)20-17(22)23-18(2,3)4/h7-9,13-14,19H,10-11H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate?
tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(dimethylamino)-2-methylanilino]cyclobutyl]carbamate is sourced from PubChem (CID 103759400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).