N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide

C15H23N3O2 — CID 66265600

IUPACN-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-16-14-10-20-9-13(14)15(19)17-12-6-4-11(5-7-12)8-18(2)3/h4-7,13-14,16H,8-10H2,1-3H3,(H,17,19)
InChIKeyNPBOYVACIZYYCN-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.92
Rot. Bonds5

About N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide

N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265600) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID66265600
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-16-14-10-20-9-13(14)15(19)17-12-6-4-11(5-7-12)8-18(2)3/h4-7,13-14,16H,8-10H2,1-3H3,(H,17,19)
InChIKeyNPBOYVACIZYYCN-UHFFFAOYSA-N
XLogP0.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 66267762
N-(4-cyanophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265960
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)oxolane-3-carboxamide
CID 66266381
4-(methylamino)-N-(4-propan-2-yloxyphenyl)oxolane-3-carboxamide
CID 66266361
2-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868227
4-(ethylamino)-N-(4-propylphenyl)oxolane-3-carboxamide
CID 66260204
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267194
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266005
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
N-(3-carbamoyl-4-chlorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265988

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide (CID 66265600) is N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc(CN(C)C)cc1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is NPBOYVACIZYYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-14-10-20-9-13(14)15(19)17-12-6-4-11(5-7-12)8-18(2)3/h4-7,13-14,16H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide?
N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).