N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

C20H18N2O3 — CID 42884379

IUPACN-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESC#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1
InChIInChI=1S/C20H18N2O3/c1-2-14-6-3-8-16(12-14)21-19(23)15-7-4-9-17(13-15)22-20(24)18-10-5-11-25-18/h1,3-4,6-9,12-13,18H,5,10-11H2,(H,21,23)(H,22,24)
InChIKeyAWQFEKBRPWSPDH-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.04
Rot. Bonds4

About N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 42884379) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID42884379
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESC#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1
InChIInChI=1S/C20H18N2O3/c1-2-14-6-3-8-16(12-14)21-19(23)15-7-4-9-17(13-15)22-20(24)18-10-5-11-25-18/h1,3-4,6-9,12-13,18H,5,10-11H2,(H,21,23)(H,22,24)
InChIKeyAWQFEKBRPWSPDH-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-[3-[[3-(oxolane-2-carbonylamino)benzoyl]amino]phenyl]ethynyl]benzoate
CID 46541035
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[(2,3-dichlorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049586
(2S)-N-[3-[(2-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 31700256
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-[3-[(3,5-difluoro-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55834754
N-(3-ethynylphenyl)-1,4-dioxane-2-carboxamide
CID 47176741

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 42884379) is N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is C#Cc1cccc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1.
What is the InChIKey of N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is AWQFEKBRPWSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-14-6-3-8-16(12-14)21-19(23)15-7-4-9-17(13-15)22-20(24)18-10-5-11-25-18/h1,3-4,6-9,12-13,18H,5,10-11H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 42884379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).