N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide

C17H22N2O4 — CID 71856922

IUPACN-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2)COC1
InChIInChI=1S/C17H22N2O4/c1-2-17(10-22-11-17)16(21)19-13-7-5-12(6-8-13)18-15(20)14-4-3-9-23-14/h5-8,14H,2-4,9-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyCCXAQTZYVZEIEV-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.17
Rot. Bonds5

About N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide

N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide (PubChem CID 71856922) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide
PubChem CID71856922
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2)COC1
InChIInChI=1S/C17H22N2O4/c1-2-17(10-22-11-17)16(21)19-13-7-5-12(6-8-13)18-15(20)14-4-3-9-23-14/h5-8,14H,2-4,9-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyCCXAQTZYVZEIEV-UHFFFAOYSA-N
XLogP2.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 110352768
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide
CID 94118926

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide (CID 71856922) is N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide is CCC1(C(=O)Nc2ccc(NC(=O)C3CCCO3)cc2)COC1.
What is the InChIKey of N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide?
The InChIKey is CCXAQTZYVZEIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-17(10-22-11-17)16(21)19-13-7-5-12(6-8-13)18-15(20)14-4-3-9-23-14/h5-8,14H,2-4,9-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide?
N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-ethyloxetane-3-carbonyl)amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 71856922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).