N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide

C17H22N2O2 — CID 119142073

IUPACN-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide
SMILESCC(CCNCCNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-14(15-6-3-2-4-7-15)9-10-18-11-12-19-17(20)16-8-5-13-21-16/h2-8,13-14,18H,9-12H2,1H3,(H,19,20)
InChIKeyWHQCKSSQFDLVKY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.79
Rot. Bonds8

About N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide

N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide (PubChem CID 119142073) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide
PubChem CID119142073
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide
SMILESCC(CCNCCNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-14(15-6-3-2-4-7-15)9-10-18-11-12-19-17(20)16-8-5-13-21-16/h2-8,13-14,18H,9-12H2,1H3,(H,19,20)
InChIKeyWHQCKSSQFDLVKY-UHFFFAOYSA-N
XLogP2.79
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide
CID 42891707
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965
N-[2-[[N-[3-(4-methoxyphenyl)butyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111640598
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[2-[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111356954
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
N-(3-phenylbutyl)benzamide
CID 62403316
N-(1,1-diphenylpropan-2-yl)furan-2-carboxamide
CID 46432017
N-[2-[(4-ethylphenyl)methylamino]ethyl]furan-2-carboxamide;oxalic acid
CID 56603517
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
CID 34266144

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide (CID 119142073) is N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide is CC(CCNCCNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide?
The InChIKey is WHQCKSSQFDLVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14(15-6-3-2-4-7-15)9-10-18-11-12-19-17(20)16-8-5-13-21-16/h2-8,13-14,18H,9-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide?
N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 119142073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).