N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide

C22H22N4O4 — CID 121062902

IUPACN-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C22H22N4O4/c27-20(23-12-13-24-21(28)19-7-4-14-30-19)17-8-10-18(11-9-17)26-22(29)25-15-16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyBWAVOEWUWKHUFB-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.76
Rot. Bonds8

About N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 121062902) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID121062902
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C22H22N4O4/c27-20(23-12-13-24-21(28)19-7-4-14-30-19)17-8-10-18(11-9-17)26-22(29)25-15-16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyBWAVOEWUWKHUFB-UHFFFAOYSA-N
XLogP2.76
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062816
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231352
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide (CID 121062902) is N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide is O=C(NCc1ccccc1)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is BWAVOEWUWKHUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c27-20(23-12-13-24-21(28)19-7-4-14-30-19)17-8-10-18(11-9-17)26-22(29)25-15-16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,23,27)(H,24,28)(H2,25,26,29).
What are the key properties of N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.76, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 121062902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).