N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide

C21H22N2O4 — CID 37429112

IUPACN-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccco1
InChIInChI=1S/C21H22N2O4/c24-20(11-4-12-22-21(25)19-10-6-14-27-19)23(16-18-9-5-13-26-18)15-17-7-2-1-3-8-17/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,22,25)
InChIKeyJYBNPAGFYDCZOP-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.61
Rot. Bonds9

About N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 37429112) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID37429112
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccco1
InChIInChI=1S/C21H22N2O4/c24-20(11-4-12-22-21(25)19-10-6-14-27-19)23(16-18-9-5-13-26-18)15-17-7-2-1-3-8-17/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,22,25)
InChIKeyJYBNPAGFYDCZOP-UHFFFAOYSA-N
XLogP3.61
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 34755792
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 60740288
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 37428744
N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 134013428
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5238006
N-[3-[(2-aminobenzoyl)amino]propyl]furan-2-carboxamide
CID 24824972
1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea
CID 17385332

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide (CID 37429112) is N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide is O=C(NCCCC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccco1.
What is the InChIKey of N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is JYBNPAGFYDCZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-20(11-4-12-22-21(25)19-10-6-14-27-19)23(16-18-9-5-13-26-18)15-17-7-2-1-3-8-17/h1-3,5-10,13-14H,4,11-12,15-16H2,(H,22,25).
What are the key properties of N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 37429112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).