tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate

C16H28N4O4 — CID 95699804

IUPACtert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate
SMILESCN(C)[C@H](CNC(=O)NCCNC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C16H28N4O4/c1-16(2,3)24-15(22)18-9-8-17-14(21)19-11-12(20(4)5)13-7-6-10-23-13/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,22)(H2,17,19,21)/t12-/m1/s1
InChIKeyZTMCUHIEFZGBKV-GFCCVEGCSA-N
MW340.42 g/mol
LogP1.71
Rot. Bonds7

About tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate

tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate (PubChem CID 95699804) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate
PubChem CID95699804
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Nametert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate
SMILESCN(C)[C@H](CNC(=O)NCCNC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C16H28N4O4/c1-16(2,3)24-15(22)18-9-8-17-14(21)19-11-12(20(4)5)13-7-6-10-23-13/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,22)(H2,17,19,21)/t12-/m1/s1
InChIKeyZTMCUHIEFZGBKV-GFCCVEGCSA-N
XLogP1.71
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[[N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886826
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(4-methylphenoxy)propyl]urea
CID 95695143
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 167985721
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 124883855
1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60549291
N-cyclohexyl-3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]propanamide
CID 60547761
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
CID 124726367

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate (CID 95699804) is tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate is CN(C)[C@H](CNC(=O)NCCNC(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate?
The InChIKey is ZTMCUHIEFZGBKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-16(2,3)24-15(22)18-9-8-17-14(21)19-11-12(20(4)5)13-7-6-10-23-13/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,22)(H2,17,19,21)/t12-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate?
tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate is sourced from PubChem (CID 95699804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).