tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate

C18H27N3O4 — CID 113256330

IUPACtert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate
SMILESCOCC(=O)Nc1ccc(NC2CC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)21-15-9-14(10-15)19-12-5-7-13(8-6-12)20-16(22)11-24-4/h5-8,14-15,19H,9-11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyCMKXOPQWPAMOKT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.74
Rot. Bonds6

About tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate

tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate (PubChem CID 113256330) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate
PubChem CID113256330
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nametert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate
SMILESCOCC(=O)Nc1ccc(NC2CC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)21-15-9-14(10-15)19-12-5-7-13(8-6-12)20-16(22)11-24-4/h5-8,14-15,19H,9-11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyCMKXOPQWPAMOKT-UHFFFAOYSA-N
XLogP2.74
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate
CID 113247856
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
2-methoxy-N-[4-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941718
2-methoxy-N-[4-[(4-methylcyclohexyl)amino]phenyl]acetamide
CID 43717399
tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388
tert-butyl N-[3-(3-bromo-4-chloroanilino)cyclobutyl]carbamate
CID 80560979
tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate
CID 103720022
2-methoxy-N-[4-[(3-methoxycyclohexyl)amino]phenyl]acetamide
CID 106871777
tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103759555
N-[4-[(3,3-dimethylcyclopentyl)amino]phenyl]-2-methoxyacetamide
CID 80705549
tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
CID 107597184

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate (CID 113256330) is tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate is COCC(=O)Nc1ccc(NC2CC(NC(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate?
The InChIKey is CMKXOPQWPAMOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)21-15-9-14(10-15)19-12-5-7-13(8-6-12)20-16(22)11-24-4/h5-8,14-15,19H,9-11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate?
tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate is sourced from PubChem (CID 113256330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).