2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate

C9H11BrN2O4 — CID 86787888

IUPAC2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate
SMILESCc1cc(Br)oc1C(=O)NCCOC(N)=O
InChIInChI=1S/C9H11BrN2O4/c1-5-4-6(10)16-7(5)8(13)12-2-3-15-9(11)14/h4H,2-3H2,1H3,(H2,11,14)(H,12,13)
InChIKeyUPKGVDUJBNSBAO-UHFFFAOYSA-N
MW291.10 g/mol
LogP1.18
Rot. Bonds4

About 2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate

2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate (PubChem CID 86787888) has the molecular formula C9H11BrN2O4 and a molecular weight of 291.10 g/mol. Its IUPAC name is 2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate
PubChem CID86787888
Molecular FormulaC9H11BrN2O4
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate
SMILESCc1cc(Br)oc1C(=O)NCCOC(N)=O
InChIInChI=1S/C9H11BrN2O4/c1-5-4-6(10)16-7(5)8(13)12-2-3-15-9(11)14/h4H,2-3H2,1H3,(H2,11,14)(H,12,13)
InChIKeyUPKGVDUJBNSBAO-UHFFFAOYSA-N
XLogP1.18
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide
CID 136526522
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
CID 83203375
3-(carbamoylamino)propyl 5-bromo-3-methylfuran-2-carboxylate
CID 71987886
5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
CID 55774303
5-bromo-N-[(4-hydroxythian-4-yl)methyl]-3-methylfuran-2-carboxamide
CID 111484647
N-benzyl-5-bromo-3-methylfuran-2-carboxamide
CID 47242031
2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate
CID 86787902
methyl (2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-3-ethylpentanoate
CID 95781042
(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid
CID 103791126
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374
2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate
CID 83203569

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate (CID 86787888) is 2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate is Cc1cc(Br)oc1C(=O)NCCOC(N)=O.
What is the InChIKey of 2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate?
The InChIKey is UPKGVDUJBNSBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O4/c1-5-4-6(10)16-7(5)8(13)12-2-3-15-9(11)14/h4H,2-3H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate?
2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate has a molecular weight of 291.10 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 86787888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).