N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide

C14H18N2O3 — CID 154739738

IUPACN-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(C(N)=O)c2)CCOC1
InChIInChI=1S/C14H18N2O3/c1-14(5-6-19-9-14)13(18)16-8-10-3-2-4-11(7-10)12(15)17/h2-4,7H,5-6,8-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyRCBXGZKBBAKOHE-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.83
Rot. Bonds4

About N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide

N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide (PubChem CID 154739738) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide
PubChem CID154739738
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(C(N)=O)c2)CCOC1
InChIInChI=1S/C14H18N2O3/c1-14(5-6-19-9-14)13(18)16-8-10-3-2-4-11(7-10)12(15)17/h2-4,7H,5-6,8-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyRCBXGZKBBAKOHE-UHFFFAOYSA-N
XLogP0.83
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(propanoylamino)methyl]benzamide
CID 32636451
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
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Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide (CID 154739738) is N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide is CC1(C(=O)NCc2cccc(C(N)=O)c2)CCOC1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide?
The InChIKey is RCBXGZKBBAKOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(5-6-19-9-14)13(18)16-8-10-3-2-4-11(7-10)12(15)17/h2-4,7H,5-6,8-9H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide?
N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 154739738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).