N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide

C23H28N4O4 — CID 121062728

IUPACN-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCc1cccc(NC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)c1C
InChIInChI=1S/C23H28N4O4/c1-15-5-3-6-19(16(15)2)27-23(30)26-18-10-8-17(9-11-18)21(28)24-12-13-25-22(29)20-7-4-14-31-20/h3,5-6,8-11,20H,4,7,12-14H2,1-2H3,(H,24,28)(H,25,29)(H2,26,27,30)
InChIKeySASCDLDJNPJCMB-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.97
Rot. Bonds7

About N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 121062728) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID121062728
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCc1cccc(NC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)c1C
InChIInChI=1S/C23H28N4O4/c1-15-5-3-6-19(16(15)2)27-23(30)26-18-10-8-17(9-11-18)21(28)24-12-13-25-22(29)20-7-4-14-31-20/h3,5-6,8-11,20H,4,7,12-14H2,1-2H3,(H,24,28)(H,25,29)(H2,26,27,30)
InChIKeySASCDLDJNPJCMB-UHFFFAOYSA-N
XLogP2.97
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.97
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-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396628
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 108542472
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677
4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
CID 121063331
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062689
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 121062728) is N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide is Cc1cccc(NC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)c1C.
What is the InChIKey of N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is SASCDLDJNPJCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-15-5-3-6-19(16(15)2)27-23(30)26-18-10-8-17(9-11-18)21(28)24-12-13-25-22(29)20-7-4-14-31-20/h3,5-6,8-11,20H,4,7,12-14H2,1-2H3,(H,24,28)(H,25,29)(H2,26,27,30).
What are the key properties of N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121062728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).