N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide

C15H20N2O4 — CID 42944644

IUPACN-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
SMILESCOc1cccc(C(=O)NCCNC(=O)C2CCCO2)c1
InChIInChI=1S/C15H20N2O4/c1-20-12-5-2-4-11(10-12)14(18)16-7-8-17-15(19)13-6-3-9-21-13/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyIQOCQYOKBXTZMY-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.72
Rot. Bonds6

About N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide

N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 42944644) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
PubChem CID42944644
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
SMILESCOc1cccc(C(=O)NCCNC(=O)C2CCCO2)c1
InChIInChI=1S/C15H20N2O4/c1-20-12-5-2-4-11(10-12)14(18)16-7-8-17-15(19)13-6-3-9-21-13/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyIQOCQYOKBXTZMY-UHFFFAOYSA-N
XLogP0.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
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-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671
3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide
CID 125419741
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide (CID 42944644) is N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide is COc1cccc(C(=O)NCCNC(=O)C2CCCO2)c1.
What is the InChIKey of N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide?
The InChIKey is IQOCQYOKBXTZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-12-5-2-4-11(10-12)14(18)16-7-8-17-15(19)13-6-3-9-21-13/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide?
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 42944644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).