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

C14H22ClNO2 — CID 65152602

IUPACN-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(CCCCl)C(C)C)c1C
InChIInChI=1S/C14H22ClNO2/c1-9(2)16(8-6-7-15)14(17)13-10(3)11(4)18-12(13)5/h9H,6-8H2,1-5H3
InChIKeySTHBQLVKCSPBAQ-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.68
Rot. Bonds5

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

N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide (PubChem CID 65152602) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
PubChem CID65152602
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC NameN-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(CCCCl)C(C)C)c1C
InChIInChI=1S/C14H22ClNO2/c1-9(2)16(8-6-7-15)14(17)13-10(3)11(4)18-12(13)5/h9H,6-8H2,1-5H3
InChIKeySTHBQLVKCSPBAQ-UHFFFAOYSA-N
XLogP3.68
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.68
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-(3-bromopropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80662981
4-[propan-2-yl-(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 60826753
N-[2-(2-chloroethoxy)ethyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 114242702
N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 114305810
N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 113468246
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzamide
CID 55185882
N-(3-chloropropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 63390608
N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
CID 63390980
N-(3-chloropropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 63390870
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 54916722
N-ethyl-N-(2-hydroxyethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 60739984

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide (CID 65152602) is N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide is Cc1oc(C)c(C(=O)N(CCCCl)C(C)C)c1C.
What is the InChIKey of N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is STHBQLVKCSPBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/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-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide?
N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 271.79 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 65152602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).