5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide

C16H27NO2 — CID 112771490

IUPAC5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)N(CCC(C)C)CCC(C)C)o1
InChIInChI=1S/C16H27NO2/c1-12(2)8-10-17(11-9-13(3)4)16(18)15-7-6-14(5)19-15/h6-7,12-13H,8-11H2,1-5H3
InChIKeyHGNSVWXDTNXDRT-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.12
Rot. Bonds7

About 5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide

5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide (PubChem CID 112771490) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide
PubChem CID112771490
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)N(CCC(C)C)CCC(C)C)o1
InChIInChI=1S/C16H27NO2/c1-12(2)8-10-17(11-9-13(3)4)16(18)15-7-6-14(5)19-15/h6-7,12-13H,8-11H2,1-5H3
InChIKeyHGNSVWXDTNXDRT-UHFFFAOYSA-N
XLogP4.12
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 60653081
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
CID 107493288
N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 63395497
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 43572981
N-(3-aminopropyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 43136432
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
4-methyl-2-[methyl-(5-methylfuran-2-carbonyl)amino]pentanoic acid
CID 110836764
N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 80662286
N-(2-cyanoethyl)-N-(2-methoxyethyl)-5-methylfuran-2-carboxamide
CID 55169420
N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide
CID 43459468
N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide
CID 71944466

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide (CID 112771490) is 5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide is Cc1ccc(C(=O)N(CCC(C)C)CCC(C)C)o1.
What is the InChIKey of 5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide?
The InChIKey is HGNSVWXDTNXDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)8-10-17(11-9-13(3)4)16(18)15-7-6-14(5)19-15/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of 5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide?
5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide is sourced from PubChem (CID 112771490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).