butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate

C26H32N2O6 — CID 176639180

IUPACbutyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate
SMILESCCCCOC(=O)C(CC)OCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H32N2O6/c1-3-5-14-32-25(30)23(4-2)34-17-28-24(29)15-27-26(31)33-16-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,22-23H,3-5,14-17H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyIEVKZKCWKDHJRF-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.74
Rot. Bonds12

About butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate

butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate (PubChem CID 176639180) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate.

Molecular Properties

Compound Namebutyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate
PubChem CID176639180
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Namebutyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate
SMILESCCCCOC(=O)C(CC)OCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H32N2O6/c1-3-5-14-32-25(30)23(4-2)34-17-28-24(29)15-27-26(31)33-16-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,22-23H,3-5,14-17H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyIEVKZKCWKDHJRF-UHFFFAOYSA-N
XLogP3.74
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3-phenylpropanoate
CID 176639188
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355
2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3-phenylpropanoic acid
CID 122686223
benzyl (2S)-2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]propanoate
CID 169224942
octyl (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 172553228
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate
CID 134309423
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
2-[[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
CID 172594576
9H-fluoren-9-ylmethyl N-[2-(4,4-dihydroxybutylamino)-2-oxoethyl]carbamate
CID 139455954
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate?
The IUPAC name of butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate (CID 176639180) is butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate.
What is the SMILES notation for butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate?
The canonical SMILES for butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate is CCCCOC(=O)C(CC)OCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate?
The InChIKey is IEVKZKCWKDHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-3-5-14-32-25(30)23(4-2)34-17-28-24(29)15-27-26(31)33-16-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,22-23H,3-5,14-17H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate?
butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate has a molecular weight of 468.55 g/mol, XLogP of 3.74, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate is sourced from PubChem (CID 176639180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).