N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide

C15H20N2O4 — CID 106911790

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc(C3OCCO3)cc2)C1
InChIInChI=1S/C15H20N2O4/c1-19-12-8-13(16-9-12)14(18)17-11-4-2-10(3-5-11)15-20-6-7-21-15/h2-5,12-13,15-16H,6-9H2,1H3,(H,17,18)
InChIKeyJQUNIBMXGYRSRZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.05
Rot. Bonds4

About N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide

N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 106911790) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID106911790
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc(C3OCCO3)cc2)C1
InChIInChI=1S/C15H20N2O4/c1-19-12-8-13(16-9-12)14(18)17-11-4-2-10(3-5-11)15-20-6-7-21-15/h2-5,12-13,15-16H,6-9H2,1H3,(H,17,18)
InChIKeyJQUNIBMXGYRSRZ-UHFFFAOYSA-N
XLogP1.05
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214741
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213291
N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214462
4-methoxy-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 62327297
4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
CID 62902745
4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 62813538
N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214459
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
N-(3-chloro-4-nitrophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 82864769

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide (CID 106911790) is N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2ccc(C3OCCO3)cc2)C1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is JQUNIBMXGYRSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-19-12-8-13(16-9-12)14(18)17-11-4-2-10(3-5-11)15-20-6-7-21-15/h2-5,12-13,15-16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 106911790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).