N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide

C21H20N2O3 — CID 38227641

IUPACN-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1Cc1ccccc1)c1ccco1
InChIInChI=1S/C21H20N2O3/c24-20(22-12-13-23-21(25)19-11-6-14-26-19)18-10-5-4-9-17(18)15-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2,(H,22,24)(H,23,25)
InChIKeyKOBIVMQUGKCTRG-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.03
Rot. Bonds7

About N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide

N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 38227641) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID38227641
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1Cc1ccccc1)c1ccco1
InChIInChI=1S/C21H20N2O3/c24-20(22-12-13-23-21(25)19-11-6-14-26-19)18-10-5-4-9-17(18)15-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2,(H,22,24)(H,23,25)
InChIKeyKOBIVMQUGKCTRG-UHFFFAOYSA-N
XLogP3.03
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.03
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-[3-[(2-aminobenzoyl)amino]propyl]furan-2-carboxamide
CID 24824972
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide
CID 42891707
methyl 4-[(2-benzylbenzoyl)amino]butanoate
CID 112794767
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide (CID 38227641) is N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1ccccc1Cc1ccccc1)c1ccco1.
What is the InChIKey of N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is KOBIVMQUGKCTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(22-12-13-23-21(25)19-11-6-14-26-19)18-10-5-4-9-17(18)15-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-benzylbenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 38227641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).