N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide

C17H20N2O3 — CID 42891707

IUPACN-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide
SMILESCCC(C(=O)NCCNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-2-14(13-7-4-3-5-8-13)16(20)18-10-11-19-17(21)15-9-6-12-22-15/h3-9,12,14H,2,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyUGSNRIXPIWVXPS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.32
Rot. Bonds7

About N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide

N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide (PubChem CID 42891707) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide
PubChem CID42891707
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide
SMILESCCC(C(=O)NCCNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-2-14(13-7-4-3-5-8-13)16(20)18-10-11-19-17(21)15-9-6-12-22-15/h3-9,12,14H,2,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyUGSNRIXPIWVXPS-UHFFFAOYSA-N
XLogP2.32
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.32
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-[[(2R)-2-phenylbutanoyl]amino]phenyl]furan-2-carboxamide
CID 839587
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-[2-(3-phenylbutylamino)ethyl]furan-2-carboxamide
CID 119142073
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
N-[2-[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111356954
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-2-phenylbutanamide
CID 44961309
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 38227641
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide (CID 42891707) is N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide is CCC(C(=O)NCCNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide?
The InChIKey is UGSNRIXPIWVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-14(13-7-4-3-5-8-13)16(20)18-10-11-19-17(21)15-9-6-12-22-15/h3-9,12,14H,2,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide?
N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 42891707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).