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

C22H26N4O5 — CID 121062718

IUPACN-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C22H26N4O5/c1-30-18-10-8-17(9-11-18)26-22(29)25-16-6-4-15(5-7-16)20(27)23-12-13-24-21(28)19-3-2-14-31-19/h4-11,19H,2-3,12-14H2,1H3,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyMSNCDVGNPPXEFA-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.36
Rot. Bonds8

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

N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 121062718) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID121062718
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C22H26N4O5/c1-30-18-10-8-17(9-11-18)26-22(29)25-16-6-4-15(5-7-16)20(27)23-12-13-24-21(28)19-3-2-14-31-19/h4-11,19H,2-3,12-14H2,1H3,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyMSNCDVGNPPXEFA-UHFFFAOYSA-N
XLogP2.36
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.36
H-Bond Donors ≤ 54
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-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062728
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062573
N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062685
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-[2-(4-methoxyphenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 47472788
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
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-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 121062718) is N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide is COc1ccc(NC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)cc1.
What is the InChIKey of N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is MSNCDVGNPPXEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-30-18-10-8-17(9-11-18)26-22(29)25-16-6-4-15(5-7-16)20(27)23-12-13-24-21(28)19-3-2-14-31-19/h4-11,19H,2-3,12-14H2,1H3,(H,23,27)(H,24,28)(H2,25,26,29).
What are the key properties of N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.36, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121062718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).