tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate

C20H29N3O4 — CID 164540922

IUPACtert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNc1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C20H29N3O4/c1-20(2,3)27-19(26)22-12-5-4-11-21-15-8-6-7-14(13-15)16-9-10-17(24)23-18(16)25/h6-8,13,16,21H,4-5,9-12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyDHOHEQSAZTXFKR-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.92
Rot. Bonds7

About tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate

tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate (PubChem CID 164540922) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate
PubChem CID164540922
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Nametert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNc1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C20H29N3O4/c1-20(2,3)27-19(26)22-12-5-4-11-21-15-8-6-7-14(13-15)16-9-10-17(24)23-18(16)25/h6-8,13,16,21H,4-5,9-12H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyDHOHEQSAZTXFKR-UHFFFAOYSA-N
XLogP2.92
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-[3-(2,6-dioxopiperidin-3-yl)anilino]pentyl]carbamate
CID 164540949
tert-butyl 6-[3-(2,7-dioxoazepan-3-yl)anilino]hexanoate
CID 175638791
tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate
CID 166553640
tert-butyl N-[3-(3-sulfanylanilino)propyl]carbamate
CID 163658111
tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
CID 103821832
2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide
CID 166553748
3-[3-[2-[2-[2-[[(Z)-2-amino-3-(2-aminoethoxy)prop-1-enyl]amino]ethoxy]ethoxy]ethylamino]phenyl]piperidine-2,6-dione
CID 177052191
tert-butyl N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 138467204
tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 170979336
N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689408
tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
CID 103817909
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethyl]carbamate
CID 134580304

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate (CID 164540922) is tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate is CC(C)(C)OC(=O)NCCCCNc1cccc(C2CCC(=O)NC2=O)c1.
What is the InChIKey of tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate?
The InChIKey is DHOHEQSAZTXFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-20(2,3)27-19(26)22-12-5-4-11-21-15-8-6-7-14(13-15)16-9-10-17(24)23-18(16)25/h6-8,13,16,21H,4-5,9-12H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate?
tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate has a molecular weight of 375.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate is sourced from PubChem (CID 164540922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).