N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide

C14H24N2O2 — CID 71944466

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCCN(C(C)C)C(C)C)o1
InChIInChI=1S/C14H24N2O2/c1-10(2)16(11(3)4)9-8-15-14(17)13-7-6-12(5)18-13/h6-7,10-11H,8-9H2,1-5H3,(H,15,17)
InChIKeyXJGWMFOKERPFAC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.44
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide (PubChem CID 71944466) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide
PubChem CID71944466
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCCN(C(C)C)C(C)C)o1
InChIInChI=1S/C14H24N2O2/c1-10(2)16(11(3)4)9-8-15-14(17)13-7-6-12(5)18-13/h6-7,10-11H,8-9H2,1-5H3,(H,15,17)
InChIKeyXJGWMFOKERPFAC-UHFFFAOYSA-N
XLogP2.44
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromobutyl)-5-methylfuran-2-carboxamide
CID 114312376
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
N-[(2R)-2-(dimethylamino)propyl]-5-methylfuran-2-carboxamide
CID 94096526
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 66816834
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 43572981
N-[2-[di(propan-2-yl)amino]ethyl]-4-pentylbenzamide
CID 70023627
methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
CID 43404643
5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 112771490
5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide
CID 47031083

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide (CID 71944466) is N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCCN(C(C)C)C(C)C)o1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide?
The InChIKey is XJGWMFOKERPFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16(11(3)4)9-8-15-14(17)13-7-6-12(5)18-13/h6-7,10-11H,8-9H2,1-5H3,(H,15,17).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 71944466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).