N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide

C14H16N2O2 — CID 60803928

IUPACN-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide
SMILESNCC#Cc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C14H16N2O2/c15-8-2-5-11-4-1-6-12(10-11)16-14(17)13-7-3-9-18-13/h1,4,6,10,13H,3,7-9,15H2,(H,16,17)
InChIKeyBJXATYGGPXDDAU-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.11
Rot. Bonds2

About N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide

N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide (PubChem CID 60803928) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide
PubChem CID60803928
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide
SMILESNCC#Cc1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C14H16N2O2/c15-8-2-5-11-4-1-6-12(10-11)16-14(17)13-7-3-9-18-13/h1,4,6,10,13H,3,7-9,15H2,(H,16,17)
InChIKeyBJXATYGGPXDDAU-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.11
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

(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181380
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42884379
methyl 3-[2-[3-[[3-(oxolane-2-carbonylamino)benzoyl]amino]phenyl]ethynyl]benzoate
CID 46541035
N-[3-(3-aminoprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477904
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-phenyloxolane-2-carboxamide
CID 3453643
N-[3-(3-aminoprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60803415
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide (CID 60803928) is N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide is NCC#Cc1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide?
The InChIKey is BJXATYGGPXDDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-8-2-5-11-4-1-6-12(10-11)16-14(17)13-7-3-9-18-13/h1,4,6,10,13H,3,7-9,15H2,(H,16,17).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide?
N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 60803928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).