N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide

C14H22BrNO2 — CID 80662981

IUPACN-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(CCCBr)C(C)C)c1C
InChIInChI=1S/C14H22BrNO2/c1-9(2)16(8-6-7-15)14(17)13-10(3)11(4)18-12(13)5/h9H,6-8H2,1-5H3
InChIKeyYYWIRBGVCHMNNU-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.84
Rot. Bonds5

About N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide

N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide (PubChem CID 80662981) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
PubChem CID80662981
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC NameN-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(CCCBr)C(C)C)c1C
InChIInChI=1S/C14H22BrNO2/c1-9(2)16(8-6-7-15)14(17)13-10(3)11(4)18-12(13)5/h9H,6-8H2,1-5H3
InChIKeyYYWIRBGVCHMNNU-UHFFFAOYSA-N
XLogP3.84
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
CID 65152602
4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 60826753
N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 80662286
N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80666211
N-(3-bromopropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 80662779
5-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661582
N-(3-bromopropyl)-3-chloro-N-propan-2-ylbenzamide
CID 80662095
N-(3-bromopropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 80661580
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-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 114242702
N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 54916722

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide (CID 80662981) is N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide is Cc1oc(C)c(C(=O)N(CCCBr)C(C)C)c1C.
What is the InChIKey of N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is YYWIRBGVCHMNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-9(2)16(8-6-7-15)14(17)13-10(3)11(4)18-12(13)5/h9H,6-8H2,1-5H3.
What are the key properties of N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide?
N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 80662981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).