tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate

C26H30N4O4 — CID 67150090

IUPACtert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc2c(c1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O
InChIInChI=1S/C26H30N4O4/c1-25(2,3)34-24(33)29-11-10-28-23(32)14-6-8-16-18(12-14)26(4,5)22-20(21(16)31)17-9-7-15(27)13-19(17)30-22/h6-9,12-13,30H,10-11,27H2,1-5H3,(H,28,32)(H,29,33)
InChIKeyJGGTYBBCEATXOL-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.87
Rot. Bonds4

About tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate

tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate (PubChem CID 67150090) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate
PubChem CID67150090
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Nametert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc2c(c1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O
InChIInChI=1S/C26H30N4O4/c1-25(2,3)34-24(33)29-11-10-28-23(32)14-6-8-16-18(12-14)26(4,5)22-20(21(16)31)17-9-7-15(27)13-19(17)30-22/h6-9,12-13,30H,10-11,27H2,1-5H3,(H,28,32)(H,29,33)
InChIKeyJGGTYBBCEATXOL-UHFFFAOYSA-N
XLogP3.87
TPSA126.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethyl]carbamate
CID 70195542
3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid
CID 70193767
N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 66834421
3-amino-8-(2,3-dihydroxypropylsulfanyl)-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 67150011
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
CID 102739374
tert-butyl N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethylsulfamoyl]carbamate
CID 66834149
3-cyano-N-(1,3-dihydroxypropan-2-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 66834824
tert-butyl N-[3-[(4-amino-3-methylbenzoyl)amino]propyl]carbamate
CID 104932611
3-amino-8-[4-(2-hydroxyethyl)piperazin-1-yl]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 70196121
tert-butyl N-[2-[2-[2-[(4-aminobenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 102393692
tert-butyl N-[3-[(3-amino-4-methylbenzoyl)amino]propyl]carbamate
CID 104932578
tert-butyl N-[[4-(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-1-yl]-hydroxy-methyl-oxo-λ6-sulfanyl]carbamate
CID 163581049

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate (CID 67150090) is tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1ccc2c(c1)C(C)(C)c1[nH]c3cc(N)ccc3c1C2=O.
What is the InChIKey of tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate?
The InChIKey is JGGTYBBCEATXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-25(2,3)34-24(33)29-11-10-28-23(32)14-6-8-16-18(12-14)26(4,5)22-20(21(16)31)17-9-7-15(27)13-19(17)30-22/h6-9,12-13,30H,10-11,27H2,1-5H3,(H,28,32)(H,29,33).
What are the key properties of tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate has a molecular weight of 462.55 g/mol, XLogP of 3.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 67150090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).