[2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine

C36H38N4O4 — CID 161186199

IUPAC[2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine
SMILESCCC(=O)Nc1ccc2c(c1)C(COC(=O)CC)c1cc(NC(=O)CC)ccc1-2.Nc1ccc2c(c1)Cc1cc(N)ccc1-2
InChIInChI=1S/C23H26N2O4.C13H12N2/c1-4-21(26)24-14-7-9-16-17-10-8-15(25-22(27)5-2)12-19(17)20(18(16)11-14)13-29-23(28)6-3;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h7-12,20H,4-6,13H2,1-3H3,(H,24,26)(H,25,27);1-4,6-7H,5,14-15H2
InChIKeyUTCNHTHRRAQZHI-UHFFFAOYSA-N
MW590.72 g/mol
LogP6.87
Rot. Bonds7

About [2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine

[2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine (PubChem CID 161186199) has the molecular formula C36H38N4O4 and a molecular weight of 590.72 g/mol. Its IUPAC name is [2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine.

Molecular Properties

Compound Name[2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine
PubChem CID161186199
Molecular FormulaC36H38N4O4
Molecular Weight590.72 g/mol
Exact Mass590.29
IUPAC Name[2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine
SMILESCCC(=O)Nc1ccc2c(c1)C(COC(=O)CC)c1cc(NC(=O)CC)ccc1-2.Nc1ccc2c(c1)Cc1cc(N)ccc1-2
InChIInChI=1S/C23H26N2O4.C13H12N2/c1-4-21(26)24-14-7-9-16-17-10-8-15(25-22(27)5-2)12-19(17)20(18(16)11-14)13-29-23(28)6-3;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h7-12,20H,4-6,13H2,1-3H3,(H,24,26)(H,25,27);1-4,6-7H,5,14-15H2
InChIKeyUTCNHTHRRAQZHI-UHFFFAOYSA-N
XLogP6.87
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 56.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(butanoylamino)-7-(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;ethane;9H-fluorene-2,7-diamine
CID 159430179
[2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane
CID 158486912
N-(9-formyl-9H-fluoren-2-yl)propanamide
CID 89102901
N-(4-bromo-3-cyclopropylphenyl)propanamide
CID 68922613
bis((2,5-dioxopyrrolidin-1-yl) [2-[2-(methylamino)-2-oxoethyl]-7-(propanoylamino)-9H-fluoren-9-yl]methyl carbonate);methanesulfonic acid;sulfurochloridic acid
CID 160648119
N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551
[2,7-bis(propanoylamino)-9H-fluoren-9-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118088024
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459292
[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 90731632
[2-[3-(2,5-dioxocyclopent-3-en-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118632709
9H-fluorene-2,7-diamine;tetrahydrochloride
CID 140751459

Frequently Asked Questions

What is the IUPAC name of [2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine?
The IUPAC name of [2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine (CID 161186199) is [2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine.
What is the SMILES notation for [2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine?
The canonical SMILES for [2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine is CCC(=O)Nc1ccc2c(c1)C(COC(=O)CC)c1cc(NC(=O)CC)ccc1-2.Nc1ccc2c(c1)Cc1cc(N)ccc1-2.
What is the InChIKey of [2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine?
The InChIKey is UTCNHTHRRAQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4.C13H12N2/c1-4-21(26)24-14-7-9-16-17-10-8-15(25-22(27)5-2)12-19(17)20(18(16)11-14)13-29-23(28)6-3;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h7-12,20H,4-6,13H2,1-3H3,(H,24,26)(H,25,27);1-4,6-7H,5,14-15H2.
What are the key properties of [2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine?
[2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine has a molecular weight of 590.72 g/mol, XLogP of 6.87, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine is sourced from PubChem (CID 161186199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).