N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide

C17H23N3O3 — CID 119752027

IUPACN-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCO2)c1)C1CCNC1
InChIInChI=1S/C17H23N3O3/c21-16(13-6-7-18-11-13)19-10-12-3-1-4-14(9-12)20-17(22)15-5-2-8-23-15/h1,3-4,9,13,15,18H,2,5-8,10-11H2,(H,19,21)(H,20,22)
InChIKeyWZTBVHDUJSRYBN-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.03
Rot. Bonds5

About N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide

N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119752027) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119752027
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCO2)c1)C1CCNC1
InChIInChI=1S/C17H23N3O3/c21-16(13-6-7-18-11-13)19-10-12-3-1-4-14(9-12)20-17(22)15-5-2-8-23-15/h1,3-4,9,13,15,18H,2,5-8,10-11H2,(H,19,21)(H,20,22)
InChIKeyWZTBVHDUJSRYBN-UHFFFAOYSA-N
XLogP1.03
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-[3-[(pyrrolidine-3-carbonylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119861037
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 110918378
N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305213
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119743730
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide (CID 119752027) is N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1cccc(NC(=O)C2CCCO2)c1)C1CCNC1.
What is the InChIKey of N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is WZTBVHDUJSRYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(13-6-7-18-11-13)19-10-12-3-1-4-14(9-12)20-17(22)15-5-2-8-23-15/h1,3-4,9,13,15,18H,2,5-8,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide?
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119752027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).