N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide

C16H23N3O3 — CID 108542472

IUPACN-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H23N3O3/c1-19(2)13-7-5-12(6-8-13)15(20)17-9-10-18-16(21)14-4-3-11-22-14/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyCGNMAQJIQFIDLK-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.78
Rot. Bonds6

About N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 108542472) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID108542472
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCN(C)c1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H23N3O3/c1-19(2)13-7-5-12(6-8-13)15(20)17-9-10-18-16(21)14-4-3-11-22-14/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyCGNMAQJIQFIDLK-UHFFFAOYSA-N
XLogP0.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.78
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

(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide
CID 108539293
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059087
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677
N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 108542235
N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062728
N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
2-tert-butyl-1,3-dioxo-N-[2-(oxolane-2-carbonylamino)ethyl]isoindole-5-carboxamide
CID 108540445

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 108542472) is N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide is CN(C)c1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is CGNMAQJIQFIDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-19(2)13-7-5-12(6-8-13)15(20)17-9-10-18-16(21)14-4-3-11-22-14/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 108542472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).