N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide

C19H22N2O2 — CID 112982284

IUPACN-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C19H22N2O2/c1-21(14-15-6-3-2-4-7-15)17-11-9-16(10-12-17)20-19(22)18-8-5-13-23-18/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,20,22)
InChIKeyYPDWEIKZAHWJEX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.44
Rot. Bonds5

About N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide

N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide (PubChem CID 112982284) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
PubChem CID112982284
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C19H22N2O2/c1-21(14-15-6-3-2-4-7-15)17-11-9-16(10-12-17)20-19(22)18-8-5-13-23-18/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,20,22)
InChIKeyYPDWEIKZAHWJEX-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60543369
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
(2R)-N-[4-[(N-[(2R)-oxolane-2-carbonyl]anilino)methyl]phenyl]oxolane-2-carboxamide
CID 95785400
(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 51945893
N-phenyloxolane-2-carboxamide
CID 3453643
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 104855967
N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]oxolane-2-carboxamide
CID 113030195
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide (CID 112982284) is N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide is CN(Cc1ccccc1)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide?
The InChIKey is YPDWEIKZAHWJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21(14-15-6-3-2-4-7-15)17-11-9-16(10-12-17)20-19(22)18-8-5-13-23-18/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,20,22).
What are the key properties of N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide?
N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 112982284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).