N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide

C21H23N3O4 — CID 46592689

IUPACN-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1
InChIInChI=1S/C21H23N3O4/c1-22-19(25)15-6-2-5-14(11-15)13-23-20(26)16-7-3-8-17(12-16)24-21(27)18-9-4-10-28-18/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBSIJQNRZKPYZAT-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.09
Rot. Bonds6

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

N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 46592689) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID46592689
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1
InChIInChI=1S/C21H23N3O4/c1-22-19(25)15-6-2-5-14(11-15)13-23-20(26)16-7-3-8-17(12-16)24-21(27)18-9-4-10-28-18/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBSIJQNRZKPYZAT-UHFFFAOYSA-N
XLogP2.09
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 110918378
N-[[3-(phenylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 46475223
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245842
N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 55636384
(2S)-N-[3-[[4-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32781324

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 46592689) is N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide is CNC(=O)c1cccc(CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)c1.
What is the InChIKey of N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is BSIJQNRZKPYZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-22-19(25)15-6-2-5-14(11-15)13-23-20(26)16-7-3-8-17(12-16)24-21(27)18-9-4-10-28-18/h2-3,5-8,11-12,18H,4,9-10,13H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 46592689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).