[2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane

C27H36N3O6P — CID 158486912

IUPAC[2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane
SMILESCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)CC)c1cc(NC(=O)COCCC)ccc1-2.[H]/P=N/[2H]
InChIInChI=1S/C27H34N2O6.H2NP/c1-4-11-33-16-25(30)28-18-7-9-20-21-10-8-19(29-26(31)17-34-12-5-2)14-23(21)24(22(20)13-18)15-35-27(32)6-3;1-2/h7-10,13-14,24H,4-6,11-12,15-17H2,1-3H3,(H,28,30)(H,29,31);1-2H/i/hD
InChIKeyHIFCAGWXPSGGOA-DYCDLGHISA-N
MW530.58 g/mol
LogP5.37
Rot. Bonds13

About [2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane

[2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane (PubChem CID 158486912) has the molecular formula C27H36N3O6P and a molecular weight of 530.58 g/mol. Its IUPAC name is [2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane.

Molecular Properties

Compound Name[2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane
PubChem CID158486912
Molecular FormulaC27H36N3O6P
Molecular Weight530.58 g/mol
Exact Mass530.24
IUPAC Name[2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane
SMILESCCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)CC)c1cc(NC(=O)COCCC)ccc1-2.[H]/P=N/[2H]
InChIInChI=1S/C27H34N2O6.H2NP/c1-4-11-33-16-25(30)28-18-7-9-20-21-10-8-19(29-26(31)17-34-12-5-2)14-23(21)24(22(20)13-18)15-35-27(32)6-3;1-2/h7-10,13-14,24H,4-6,11-12,15-17H2,1-3H3,(H,28,30)(H,29,31);1-2H/i/hD
InChIKeyHIFCAGWXPSGGOA-DYCDLGHISA-N
XLogP5.37
TPSA126.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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(propanoylamino)-9H-fluoren-9-yl]methyl propanoate;9H-fluorene-2,7-diamine
CID 161186199
[2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl methyl carbonate
CID 126550192
[2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-deuteriocarbamate
CID 89027357
[2-[[5-oxo-5-(2-propoxyethylamino)pentanoyl]amino]-7-(2-propoxyethylcarbamoyl)-9H-fluoren-9-yl]methyl carbamate
CID 122691690
[2-[[2-(4-hydroxybutan-2-yloxy)acetyl]amino]-7-[[2-(3-methoxypropoxy)acetyl]amino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 134381322
N-[3-(bromomethyl)phenyl]-2-propoxyacetamide
CID 107941211
N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide
CID 107938515
2-propoxy-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
CID 113265717
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
[2-[[5-(2-butoxyethylamino)-5-oxopentanoyl]amino]-7-[4-(4-hydroxybutoxy)butanoyl]-9H-fluoren-9-yl]methyl N-deuteriocarbamate
CID 158611481
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
CID 43275032

Frequently Asked Questions

What is the IUPAC name of [2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane?
The IUPAC name of [2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane (CID 158486912) is [2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane.
What is the SMILES notation for [2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane?
The canonical SMILES for [2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane is CCCOCC(=O)Nc1ccc2c(c1)C(COC(=O)CC)c1cc(NC(=O)COCCC)ccc1-2.[H]/P=N/[2H].
What is the InChIKey of [2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane?
The InChIKey is HIFCAGWXPSGGOA-DYCDLGHISA-N. The full InChI is InChI=1S/C27H34N2O6.H2NP/c1-4-11-33-16-25(30)28-18-7-9-20-21-10-8-19(29-26(31)17-34-12-5-2)14-23(21)24(22(20)13-18)15-35-27(32)6-3;1-2/h7-10,13-14,24H,4-6,11-12,15-17H2,1-3H3,(H,28,30)(H,29,31);1-2H/i/hD.
What are the key properties of [2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane?
[2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane has a molecular weight of 530.58 g/mol, XLogP of 5.37, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-bis[(2-propoxyacetyl)amino]-9H-fluoren-9-yl]methyl propanoate;deuterioiminophosphane is sourced from PubChem (CID 158486912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).