N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide

C28H27N3O5 — CID 121062639

IUPACN-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CCCO1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H27N3O5/c32-25(19-7-2-1-3-8-19)22-9-4-5-10-23(22)27(34)31-21-14-12-20(13-15-21)26(33)29-16-17-30-28(35)24-11-6-18-36-24/h1-5,7-10,12-15,24H,6,11,16-18H2,(H,29,33)(H,30,35)(H,31,34)
InChIKeyMTMCGRWUIPNXRP-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.19
Rot. Bonds9

About N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 121062639) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID121062639
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC NameN-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CCCO1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H27N3O5/c32-25(19-7-2-1-3-8-19)22-9-4-5-10-23(22)27(34)31-21-14-12-20(13-15-21)26(33)29-16-17-30-28(35)24-11-6-18-36-24/h1-5,7-10,12-15,24H,6,11,16-18H2,(H,29,33)(H,30,35)(H,31,34)
InChIKeyMTMCGRWUIPNXRP-UHFFFAOYSA-N
XLogP3.19
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
CID 121062466
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide
CID 121062109
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide
CID 108539293
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 108542235
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677
N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062728
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062645

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 121062639) is N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is O=C(NCCNC(=O)C1CCCO1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is MTMCGRWUIPNXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c32-25(19-7-2-1-3-8-19)22-9-4-5-10-23(22)27(34)31-21-14-12-20(13-15-21)26(33)29-16-17-30-28(35)24-11-6-18-36-24/h1-5,7-10,12-15,24H,6,11,16-18H2,(H,29,33)(H,30,35)(H,31,34).
What are the key properties of N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 3.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121062639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).