N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide

C15H21N3O3 — CID 119504077

IUPACN-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCNCCNC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C15H21N3O3/c1-16-7-8-17-14(19)11-4-2-5-12(10-11)18-15(20)13-6-3-9-21-13/h2,4-5,10,13,16H,3,6-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyJJMKBXODSPRDLB-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.75
Rot. Bonds6

About N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 119504077) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID119504077
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCNCCNC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C15H21N3O3/c1-16-7-8-17-14(19)11-4-2-5-12(10-11)18-15(20)13-6-3-9-21-13/h2,4-5,10,13,16H,3,6-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyJJMKBXODSPRDLB-UHFFFAOYSA-N
XLogP0.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46442303
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55948043
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 52509495
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 119504077) is N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide is CNCCNC(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is JJMKBXODSPRDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-7-8-17-14(19)11-4-2-5-12(10-11)18-15(20)13-6-3-9-21-13/h2,4-5,10,13,16H,3,6-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 119504077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).