tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate

C24H30N4O6 — CID 168953639

IUPACtert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate
SMILESCOc1ccc2oc(Nc3ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc3OC)nc2c1
InChIInChI=1S/C24H30N4O6/c1-24(2,3)34-23(30)25-12-6-7-21(29)26-15-8-10-17(20(13-15)32-5)27-22-28-18-14-16(31-4)9-11-19(18)33-22/h8-11,13-14H,6-7,12H2,1-5H3,(H,25,30)(H,26,29)(H,27,28)
InChIKeyXQDLIYLAKGZLMG-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.83
Rot. Bonds9

About tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate

tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate (PubChem CID 168953639) has the molecular formula C24H30N4O6 and a molecular weight of 470.53 g/mol. Its IUPAC name is tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate
PubChem CID168953639
Molecular FormulaC24H30N4O6
Molecular Weight470.53 g/mol
Exact Mass470.22
IUPAC Nametert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate
SMILESCOc1ccc2oc(Nc3ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc3OC)nc2c1
InChIInChI=1S/C24H30N4O6/c1-24(2,3)34-23(30)25-12-6-7-21(29)26-15-8-10-17(20(13-15)32-5)27-22-28-18-14-16(31-4)9-11-19(18)33-22/h8-11,13-14H,6-7,12H2,1-5H3,(H,25,30)(H,26,29)(H,27,28)
InChIKeyXQDLIYLAKGZLMG-UHFFFAOYSA-N
XLogP4.83
TPSA123.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-(3,4-dimethylanilino)-4-oxobutyl]carbamate
CID 9138446
tert-butyl N-[3-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]propyl]carbamate
CID 113269152
tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
CID 75526718
N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide
CID 142744266
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575
tert-butyl N-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutyl]carbamate
CID 9138271
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]benzoate
CID 9138835
tert-butyl N-[2-[(5-bromo-1,3-benzoxazol-2-yl)amino]ethyl]carbamate
CID 162755847
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate
CID 3418737
tert-butyl N-[2-methoxy-5-[4-(thiophene-2-carbonylamino)butanoylamino]phenyl]carbamate
CID 55654857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate (CID 168953639) is tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate is COc1ccc2oc(Nc3ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc3OC)nc2c1.
What is the InChIKey of tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate?
The InChIKey is XQDLIYLAKGZLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O6/c1-24(2,3)34-23(30)25-12-6-7-21(29)26-15-8-10-17(20(13-15)32-5)27-22-28-18-14-16(31-4)9-11-19(18)33-22/h8-11,13-14H,6-7,12H2,1-5H3,(H,25,30)(H,26,29)(H,27,28).
What are the key properties of tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate?
tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate has a molecular weight of 470.53 g/mol, XLogP of 4.83, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-methoxy-4-[(5-methoxy-1,3-benzoxazol-2-yl)amino]anilino]-4-oxobutyl]carbamate is sourced from PubChem (CID 168953639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).