N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide

C12H18BrNO2 — CID 80662286

IUPACN-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(CCCBr)C(C)C)o1
InChIInChI=1S/C12H18BrNO2/c1-9(2)14(8-4-7-13)12(15)11-6-5-10(3)16-11/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUIVMDSUVSQVPGL-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.22
Rot. Bonds5

About N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide

N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide (PubChem CID 80662286) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
PubChem CID80662286
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC NameN-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(CCCBr)C(C)C)o1
InChIInChI=1S/C12H18BrNO2/c1-9(2)14(8-4-7-13)12(15)11-6-5-10(3)16-11/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUIVMDSUVSQVPGL-UHFFFAOYSA-N
XLogP3.22
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 43572981
N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80662981
5-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661582
5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 112771490
5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide
CID 63393502
5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040008
2-bromo-N-(3-bromopropyl)-3-methyl-N-propan-2-ylbenzamide
CID 107983921
4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661501
N-(3-bromopropyl)-2-(3,4-difluorophenyl)-N-propan-2-ylacetamide
CID 80662378
N-(3-bromopropyl)-3-chloro-N-propan-2-ylbenzamide
CID 80662095
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
2-bromo-N-(3-bromopropyl)-4-chloro-N-propan-2-ylbenzamide
CID 114025198

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide (CID 80662286) is N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide is Cc1ccc(C(=O)N(CCCBr)C(C)C)o1.
What is the InChIKey of N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is UIVMDSUVSQVPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9(2)14(8-4-7-13)12(15)11-6-5-10(3)16-11/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide?
N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 288.19 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 80662286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).