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

C28H25N3O4 — CID 121062816

IUPACN-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C28H25N3O4/c32-26(19-20-8-10-22(11-9-20)21-5-2-1-3-6-21)31-24-14-12-23(13-15-24)27(33)29-16-17-30-28(34)25-7-4-18-35-25/h1-15,18H,16-17,19H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyRDUJIEBZILDCOE-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.29
Rot. Bonds9

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

N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 121062816) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID121062816
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC NameN-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C28H25N3O4/c32-26(19-20-8-10-22(11-9-20)21-5-2-1-3-6-21)31-24-14-12-23(13-15-24)27(33)29-16-17-30-28(34)25-7-4-18-35-25/h1-15,18H,16-17,19H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyRDUJIEBZILDCOE-UHFFFAOYSA-N
XLogP4.29
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.29
H-Bond Donors ≤ 53
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-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide
CID 33191879
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
4-[[2-(4-phenylphenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803416
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium
CID 8010632
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
N-[2-(4-fluorophenyl)ethyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119562
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
CID 121062289
N-(4-hydroxyphenyl)-2-(4-phenylphenyl)acetamide
CID 71422853

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide (CID 121062816) is N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide is O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is RDUJIEBZILDCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4/c32-26(19-20-8-10-22(11-9-20)21-5-2-1-3-6-21)31-24-14-12-23(13-15-24)27(33)29-16-17-30-28(34)25-7-4-18-35-25/h1-15,18H,16-17,19H2,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.29, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 121062816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).