tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate

C23H24N2O4 — CID 91508010

IUPACtert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate
SMILESC=C1c2ccccc2C(=O)c2cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C23H24N2O4/c1-14-16-7-5-6-8-18(16)20(26)19-13-15(9-10-17(14)19)21(27)24-11-12-25-22(28)29-23(2,3)4/h5-10,13H,1,11-12H2,2-4H3,(H,24,27)(H,25,28)
InChIKeyDEMCQZYABUINRM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.55
Rot. Bonds4

About tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate

tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate (PubChem CID 91508010) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate
PubChem CID91508010
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Nametert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate
SMILESC=C1c2ccccc2C(=O)c2cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C23H24N2O4/c1-14-16-7-5-6-8-18(16)20(26)19-13-15(9-10-17(14)19)21(27)24-11-12-25-22(28)29-23(2,3)4/h5-10,13H,1,11-12H2,2-4H3,(H,24,27)(H,25,28)
InChIKeyDEMCQZYABUINRM-UHFFFAOYSA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(9,10-dioxoanthracene-2-carbonyl)amino]butanoate
CID 159141473
tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate
CID 170833141
3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid
CID 72725647
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191
9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide
CID 122602735
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
CID 102739374
2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
CID 10380616
9-oxo-N-(2-thiophen-2-ylethyl)fluorene-2-carboxamide
CID 16612942
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[2-[[3-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]benzoyl]amino]ethyl]carbamate
CID 144646246
ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate
CID 60521776

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate (CID 91508010) is tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate is C=C1c2ccccc2C(=O)c2cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc21.
What is the InChIKey of tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate?
The InChIKey is DEMCQZYABUINRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-16-7-5-6-8-18(16)20(26)19-13-15(9-10-17(14)19)21(27)24-11-12-25-22(28)29-23(2,3)4/h5-10,13H,1,11-12H2,2-4H3,(H,24,27)(H,25,28).
What are the key properties of tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate has a molecular weight of 392.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 91508010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).