N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide

C16H21N3O4 — CID 108539293

IUPACN-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)c1ccccc1)NCCNC(=O)C1CCCO1
InChIInChI=1S/C16H21N3O4/c20-14(11-19-15(21)12-5-2-1-3-6-12)17-8-9-18-16(22)13-7-4-10-23-13/h1-3,5-6,13H,4,7-11H2,(H,17,20)(H,18,22)(H,19,21)
InChIKeyMPVMXRSAFJSXHS-UHFFFAOYSA-N
MW319.36 g/mol
LogP-0.17
Rot. Bonds7

About N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide

N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 108539293) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide
PubChem CID108539293
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)c1ccccc1)NCCNC(=O)C1CCCO1
InChIInChI=1S/C16H21N3O4/c20-14(11-19-15(21)12-5-2-1-3-6-12)17-8-9-18-16(22)13-7-4-10-23-13/h1-3,5-6,13H,4,7-11H2,(H,17,20)(H,18,22)(H,19,21)
InChIKeyMPVMXRSAFJSXHS-UHFFFAOYSA-N
XLogP-0.17
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-0.17
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-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 108542235
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 108542472
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
N-[2-(2-methoxyethylamino)-2-oxoethyl]oxolane-2-carboxamide
CID 112991151
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide
CID 108540726
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 110807089

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide (CID 108539293) is N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide is O=C(CNC(=O)c1ccccc1)NCCNC(=O)C1CCCO1.
What is the InChIKey of N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide?
The InChIKey is MPVMXRSAFJSXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-14(11-19-15(21)12-5-2-1-3-6-12)17-8-9-18-16(22)13-7-4-10-23-13/h1-3,5-6,13H,4,7-11H2,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide?
N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 108539293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).