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

C23H27N3O4 — CID 121062664

IUPACN-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)cc1C
InChIInChI=1S/C23H27N3O4/c1-15-5-6-18(14-16(15)2)22(28)26-19-9-7-17(8-10-19)21(27)24-11-12-25-23(29)20-4-3-13-30-20/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyRSHBMSMWXVGKFF-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.58
Rot. Bonds7

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

N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 121062664) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID121062664
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)cc1C
InChIInChI=1S/C23H27N3O4/c1-15-5-6-18(14-16(15)2)22(28)26-19-9-7-17(8-10-19)21(27)24-11-12-25-23(29)20-4-3-13-30-20/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyRSHBMSMWXVGKFF-UHFFFAOYSA-N
XLogP2.58
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.58
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-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062728
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 82121626
N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062689
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
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205667
N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062573
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-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 121062664) is N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)cc1C.
What is the InChIKey of N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is RSHBMSMWXVGKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15-5-6-18(14-16(15)2)22(28)26-19-9-7-17(8-10-19)21(27)24-11-12-25-23(29)20-4-3-13-30-20/h5-10,14,20H,3-4,11-13H2,1-2H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121062664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).